C181H359N31O7 — CID 158774530
N-benzylpropan-2-amine;N-(cyclohexylmethyl)propan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-(oxan-4-ylmethyl)propan-2-amine;N-(2-piperidin-1-ylethyl)propan-2-amine;4-(propan-2-ylamino)cyclohexan-1-ol;1-propan-2-ylazetidin-3-ol;N-propan-2-ylcyclohexanamine;4-N-propan-2-ylcyclohexane-1,4-diamine;N-propan-2-ylcyclopentanamine;N-propan-2-yloxan-4-amine;N-propan-2-yloxetan-3-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine (PubChem CID 158774530) has the molecular formula C181H359N31O7 and a molecular weight of 3082.07 g/mol. Its IUPAC name is N-benzylpropan-2-amine;N-(cyclohexylmethyl)propan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-(oxan-4-ylmethyl)propan-2-amine;N-(2-piperidin-1-ylethyl)propan-2-amine;4-(propan-2-ylamino)cyclohexan-1-ol;1-propan-2-ylazetidin-3-ol;N-propan-2-ylcyclohexanamine;4-N-propan-2-ylcyclohexane-1,4-diamine;N-propan-2-ylcyclopentanamine;N-propan-2-yloxan-4-amine;N-propan-2-yloxetan-3-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine.
| Compound Name | N-benzylpropan-2-amine;N-(cyclohexylmethyl)propan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-(oxan-4-ylmethyl)propan-2-amine;N-(2-piperidin-1-ylethyl)propan-2-amine;4-(propan-2-ylamino)cyclohexan-1-ol;1-propan-2-ylazetidin-3-ol;N-propan-2-ylcyclohexanamine;4-N-propan-2-ylcyclohexane-1,4-diamine;N-propan-2-ylcyclopentanamine;N-propan-2-yloxan-4-amine;N-propan-2-yloxetan-3-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine |
|---|---|
| PubChem CID | 158774530 |
| Molecular Formula | C181H359N31O7 |
| Molecular Weight | 3082.07 g/mol |
| Exact Mass | 3079.87 |
| IUPAC Name | N-benzylpropan-2-amine;N-(cyclohexylmethyl)propan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-(oxan-4-ylmethyl)propan-2-amine;N-(2-piperidin-1-ylethyl)propan-2-amine;4-(propan-2-ylamino)cyclohexan-1-ol;1-propan-2-ylazetidin-3-ol;N-propan-2-ylcyclohexanamine;4-N-propan-2-ylcyclohexane-1,4-diamine;N-propan-2-ylcyclopentanamine;N-propan-2-yloxan-4-amine;N-propan-2-yloxetan-3-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine |
| SMILES | CC(C)N1CC(O)C1.CC(C)NC1CCC(N)CC1.CC(C)NC1CCC(O)CC1.CC(C)NC1CCCC1.CC(C)NC1CCCCC1.CC(C)NC1CCN(C)CC1.CC(C)NC1CCOCC1.CC(C)NC1COC1.CC(C)NCC1CCCCC1.CC(C)NCC1CCN(C)CC1.CC(C)NCC1CCOCC1.CC(C)NCCN1CCCC1.CC(C)NCCN1CCCCC1.CC(C)NCCN1CCN(C)CC1.CC(C)NCCN1CCOCC1.CC(C)NCc1ccccc1.CC(C)NCc1cccnc1.CC(C)NCc1ccncc1.COc1ccc(CNC(C)C)cc1.[C-]#[N+]c1cccc(CNC(C)C)c1 |
| InChI | InChI=1S/C11H14N2.C11H17NO.C10H23N3.2C10H22N2.C10H21N.C10H15N.C9H20N2O.C9H20N2.C9H14N2.2C9H20N2.C9H14N2.2C9H19NO.C9H19N.C8H17NO.C8H17N.2C6H13NO/c1-9(2)13-8-10-5-4-6-11(7-10)12-3;1-9(2)12-8-10-4-6-11(13-3)7-5-10;1-10(2)11-4-5-13-8-6-12(3)7-9-13;1-9(2)11-8-10-4-6-12(3)7-5-10;1-10(2)11-6-9-12-7-4-3-5-8-12;2*1-9(2)11-8-10-6-4-3-5-7-10;1-9(2)10-3-4-11-5-7-12-8-6-11;1-8(2)10-9-4-6-11(3)7-5-9;1-8(2)11-7-9-3-5-10-6-4-9;1-7(2)11-9-5-3-8(10)4-6-9;1-9(2)10-5-8-11-6-3-4-7-11;1-8(2)11-7-9-4-3-5-10-6-9;1-8(2)10-7-9-3-5-11-6-4-9;1-7(2)10-8-3-5-9(11)6-4-8;1-8(2)10-9-6-4-3-5-7-9;1-7(2)9-8-3-5-10-6-4-8;1-7(2)9-8-5-3-4-6-8;1-5(2)7-6-3-8-4-6;1-5(2)7-3-6(8)4-7/h4-7,9,13H,8H2,1-2H3;4-7,9,12H,8H2,1-3H3;10-11H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;10-11H,3-9H2,1-2H3;9-11H,3-8H2,1-2H3;3-7,9,11H,8H2,1-2H3;9-10H,3-8H2,1-2H3;8-10H,4-7H2,1-3H3;3-6,8,11H,7H2,1-2H3;7-9,11H,3-6,10H2,1-2H3;9-10H,3-8H2,1-2H3;3-6,8,11H,7H2,1-2H3;8-10H,3-7H2,1-2H3;7-11H,3-6H2,1-2H3;8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;5-7H,3-4H2,1-2H3;5-6,8H,3-4H2,1-2H3 |
| InChIKey | IQHPRAMKNQVSRX-UHFFFAOYSA-N |
| XLogP | 28.16 |
| TPSA | 397.26 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 56 |
| Heavy Atoms | 219 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3082.07 |
| LogP ≤ 5 | 28.16 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 37 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|