N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine

C16H35N3 — CID 62554542

IUPACN-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
SMILESCCN(CC)CCNCCN(C)C1CCCC(C)C1
InChIInChI=1S/C16H35N3/c1-5-19(6-2)13-11-17-10-12-18(4)16-9-7-8-15(3)14-16/h15-17H,5-14H2,1-4H3
InChIKeyAHGVESPRBAKCID-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine

N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 62554542) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
PubChem CID62554542
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
SMILESCCN(CC)CCNCCN(C)C1CCCC(C)C1
InChIInChI=1S/C16H35N3/c1-5-19(6-2)13-11-17-10-12-18(4)16-9-7-8-15(3)14-16/h15-17H,5-14H2,1-4H3
InChIKeyAHGVESPRBAKCID-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 2846615
N-cyclopropyl-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61447072
N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine
CID 62429155
(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine
CID 171506165
N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine
CID 7074573
N,N'-dimethyl-N'-(3-methylcyclopentyl)ethane-1,2-diamine
CID 64514284
N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine
CID 105343672
N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 62429150
3-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
CID 60969986
N'-cyclopentyl-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62576013
N-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine
CID 63630283
4-[methyl-(3-methylcyclohexyl)amino]-2-(propylamino)butanenitrile
CID 63028319

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine (CID 62554542) is N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine is CCN(CC)CCNCCN(C)C1CCCC(C)C1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is AHGVESPRBAKCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-5-19(6-2)13-11-17-10-12-18(4)16-9-7-8-15(3)14-16/h15-17H,5-14H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine?
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 62554542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).