1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine

C15H32N2 — CID 79631344

IUPAC1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine
SMILESCCCNC1CCCC(N(C)C(C)C(C)C)C1
InChIInChI=1S/C15H32N2/c1-6-10-16-14-8-7-9-15(11-14)17(5)13(4)12(2)3/h12-16H,6-11H2,1-5H3
InChIKeyGGUDBBKVCPNBHF-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.27
Rot. Bonds6

About 1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine

1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine (PubChem CID 79631344) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine
PubChem CID79631344
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine
SMILESCCCNC1CCCC(N(C)C(C)C(C)C)C1
InChIInChI=1S/C15H32N2/c1-6-10-16-14-8-7-9-15(11-14)17(5)13(4)12(2)3/h12-16H,6-11H2,1-5H3
InChIKeyGGUDBBKVCPNBHF-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(1-methoxypropan-2-yl)-1-N-methyl-3-N-propylcyclohexane-1,3-diamine
CID 79617934
1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine
CID 79643301
1-N-(cyclopropylmethyl)-1-N-methyl-3-N-propylcyclohexane-1,3-diamine
CID 79631247
1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine
CID 79617939
1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine
CID 79630573
1-N-ethyl-1-N-(2-ethylbutyl)-3-N-propylcyclohexane-1,3-diamine
CID 79631157
3-N-cyclopropyl-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 79643528
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine
CID 79618510
1-N-propylcyclohexane-1,3-diamine
CID 22026573
1-N-ethyl-1-N-(2-methoxyethyl)-3-N-propylcyclohexane-1,3-diamine
CID 79618820
1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
CID 79618501

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine (CID 79631344) is 1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine is CCCNC1CCCC(N(C)C(C)C(C)C)C1.
What is the InChIKey of 1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine?
The InChIKey is GGUDBBKVCPNBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-10-16-14-8-7-9-15(11-14)17(5)13(4)12(2)3/h12-16H,6-11H2,1-5H3.
What are the key properties of 1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine?
1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine is sourced from PubChem (CID 79631344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).