2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine

C18H39N3 — CID 62708407

IUPAC2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCNC1CCC(C(C)C)CC1N(CCN(C)C)CC(C)C
InChIInChI=1S/C18H39N3/c1-14(2)13-21(11-10-20(6)7)18-12-16(15(3)4)8-9-17(18)19-5/h14-19H,8-13H2,1-7H3
InChIKeyRTDDJUGGQMYAKO-UHFFFAOYSA-N
MW297.53 g/mol
LogP2.92
Rot. Bonds8

About 2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine

2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 62708407) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine
PubChem CID62708407
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCNC1CCC(C(C)C)CC1N(CCN(C)C)CC(C)C
InChIInChI=1S/C18H39N3/c1-14(2)13-21(11-10-20(6)7)18-12-16(15(3)4)8-9-17(18)19-5/h14-19H,8-13H2,1-7H3
InChIKeyRTDDJUGGQMYAKO-UHFFFAOYSA-N
XLogP2.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63694683
2-N-(cyclohexylmethyl)-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469233
2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62703317
2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62708303
N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine
CID 63698976
2-N-(2-methoxyethyl)-1-N-methyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine
CID 82948997
1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 55106006
1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
CID 62701626
N-methyl-2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 83158361
2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708399
2-(cyclopropylmethoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62704280
N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63965864

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine (CID 62708407) is 2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine is CNC1CCC(C(C)C)CC1N(CCN(C)C)CC(C)C.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is RTDDJUGGQMYAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-14(2)13-21(11-10-20(6)7)18-12-16(15(3)4)8-9-17(18)19-5/h14-19H,8-13H2,1-7H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine?
2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 297.53 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 62708407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).