4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine

C16H35N3 — CID 114763130

IUPAC4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
SMILESCCNC1CCC(N(CCN(C)C)CC(C)C)CC1
InChIInChI=1S/C16H35N3/c1-6-17-15-7-9-16(10-8-15)19(13-14(2)3)12-11-18(4)5/h14-17H,6-13H2,1-5H3
InChIKeyKIGZVWCWGGFUQO-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds8

About 4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine

4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine (PubChem CID 114763130) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
PubChem CID114763130
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
SMILESCCNC1CCC(N(CCN(C)C)CC(C)C)CC1
InChIInChI=1S/C16H35N3/c1-6-17-15-7-9-16(10-8-15)19(13-14(2)3)12-11-18(4)5/h14-17H,6-13H2,1-5H3
InChIKeyKIGZVWCWGGFUQO-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine
CID 107869628
N,N'-dicyclopropyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62429720
3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine
CID 79618497
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112208
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626199
1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 114762995
1-(cyclopropylamino)-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 78974043
1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine
CID 79618827
N-cyclopropyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61378678
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62806205
N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555882
N-ethylcyclopropanamine;hydrochloride
CID 43810659

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine (CID 114763130) is 4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine is CCNC1CCC(N(CCN(C)C)CC(C)C)CC1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine?
The InChIKey is KIGZVWCWGGFUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-17-15-7-9-16(10-8-15)19(13-14(2)3)12-11-18(4)5/h14-17H,6-13H2,1-5H3.
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine?
4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 114763130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).