N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine

C17H36N2 — CID 63483648

IUPACN-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
SMILESCCCNCC1(CN(CC)C(C)CC)CCCCC1
InChIInChI=1S/C17H36N2/c1-5-13-18-14-17(11-9-8-10-12-17)15-19(7-3)16(4)6-2/h16,18H,5-15H2,1-4H3
InChIKeyGYWVHXZGSAKLDN-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds9

About N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine

N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine (PubChem CID 63483648) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
PubChem CID63483648
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
SMILESCCCNCC1(CN(CC)C(C)CC)CCCCC1
InChIInChI=1S/C17H36N2/c1-5-13-18-14-17(11-9-8-10-12-17)15-19(7-3)16(4)6-2/h16,18H,5-15H2,1-4H3
InChIKeyGYWVHXZGSAKLDN-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 55194825
N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
CID 63494958
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine
CID 62260720
2-N-ethyl-2-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191325
N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine
CID 63509381
N-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62258948
1-[[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953493
N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 81074698
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine
CID 103191387
N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 63483998
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 62258105
N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256205

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine?
The IUPAC name of N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine (CID 63483648) is N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine.
What is the SMILES notation for N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine?
The canonical SMILES for N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine is CCCNCC1(CN(CC)C(C)CC)CCCCC1.
What is the InChIKey of N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine?
The InChIKey is GYWVHXZGSAKLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-13-18-14-17(11-9-8-10-12-17)15-19(7-3)16(4)6-2/h16,18H,5-15H2,1-4H3.
What are the key properties of N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine?
N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine is sourced from PubChem (CID 63483648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).