1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine

C17H36N2 — CID 107429448

IUPAC1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine
SMILESCC(C)CC1CCCC(N(C)CCC(N)C(C)C)C1
InChIInChI=1S/C17H36N2/c1-13(2)11-15-7-6-8-16(12-15)19(5)10-9-17(18)14(3)4/h13-17H,6-12,18H2,1-5H3
InChIKeyXRYMKGBVBKKLHH-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.90
Rot. Bonds7

About 1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine

1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine (PubChem CID 107429448) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine
PubChem CID107429448
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine
SMILESCC(C)CC1CCCC(N(C)CCC(N)C(C)C)C1
InChIInChI=1S/C17H36N2/c1-13(2)11-15-7-6-8-16(12-15)19(5)10-9-17(18)14(3)4/h13-17H,6-12,18H2,1-5H3
InChIKeyXRYMKGBVBKKLHH-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine
CID 115317208
N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119659726
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
1-N,4-dimethyl-1-N-(1-oxaspiro[5.5]undecan-4-yl)pentane-1,3-diamine
CID 115318032
3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine
CID 165456467
N-(3-amino-4-methylpentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119658274
1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine
CID 62623516
N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride
CID 119992202
3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
CID 161332116
N-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine
CID 158562810
1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine
CID 107429401
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine (CID 107429448) is 1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine is CC(C)CC1CCCC(N(C)CCC(N)C(C)C)C1.
What is the InChIKey of 1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine?
The InChIKey is XRYMKGBVBKKLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-13(2)11-15-7-6-8-16(12-15)19(5)10-9-17(18)14(3)4/h13-17H,6-12,18H2,1-5H3.
What are the key properties of 1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine?
1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine is sourced from PubChem (CID 107429448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).