N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine

C17H36N2 — CID 62412330

IUPACN'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
SMILESCCC1CCC(N(C)CCCCCNC(C)C)CC1
InChIInChI=1S/C17H36N2/c1-5-16-9-11-17(12-10-16)19(4)14-8-6-7-13-18-15(2)3/h15-18H,5-14H2,1-4H3
InChIKeyPZMGUPUJWIVCDI-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds9

About N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine

N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine (PubChem CID 62412330) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
PubChem CID62412330
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
SMILESCCC1CCC(N(C)CCCCCNC(C)C)CC1
InChIInChI=1S/C17H36N2/c1-5-16-9-11-17(12-10-16)19(4)14-8-6-7-13-18-15(2)3/h15-18H,5-14H2,1-4H3
InChIKeyPZMGUPUJWIVCDI-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'-cyclopropyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852014
N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine
CID 61449335
N'-methyl-N'-(oxolan-3-yl)-N-propan-2-ylpentane-1,5-diamine
CID 82754082
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825
N-cyclopropyl-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 61449433
N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412553
N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 78967616
5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide
CID 54967192
N-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]cyclopropanamine
CID 102740741
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 55142009
N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine
CID 65083055
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine?
The IUPAC name of N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine (CID 62412330) is N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine.
What is the SMILES notation for N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine?
The canonical SMILES for N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine is CCC1CCC(N(C)CCCCCNC(C)C)CC1.
What is the InChIKey of N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine?
The InChIKey is PZMGUPUJWIVCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-16-9-11-17(12-10-16)19(4)14-8-6-7-13-18-15(2)3/h15-18H,5-14H2,1-4H3.
What are the key properties of N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine?
N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine 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'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine is sourced from PubChem (CID 62412330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).