1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine

C22H46N2 — CID 143778680

IUPAC1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine
SMILESCC(C)CCC(C)N(C)C1CCC(N(C)C(C)CCC(C)C)CC1
InChIInChI=1S/C22H46N2/c1-17(2)9-11-19(5)23(7)21-13-15-22(16-14-21)24(8)20(6)12-10-18(3)4/h17-22H,9-16H2,1-8H3
InChIKeyUIIKCROATQKUFH-UHFFFAOYSA-N
MW338.62 g/mol
LogP5.81
Rot. Bonds10

About 1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine

1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine (PubChem CID 143778680) has the molecular formula C22H46N2 and a molecular weight of 338.62 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine
PubChem CID143778680
Molecular FormulaC22H46N2
Molecular Weight338.62 g/mol
Exact Mass338.37
IUPAC Name1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine
SMILESCC(C)CCC(C)N(C)C1CCC(N(C)C(C)CCC(C)C)CC1
InChIInChI=1S/C22H46N2/c1-17(2)9-11-19(5)23(7)21-13-15-22(16-14-21)24(8)20(6)12-10-18(3)4/h17-22H,9-16H2,1-8H3
InChIKeyUIIKCROATQKUFH-UHFFFAOYSA-N
XLogP5.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-dimethyl-4-N-pentan-2-ylcyclohexane-1,4-diamine
CID 79111269
3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine
CID 79467905
N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine
CID 142253638
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine
CID 79111184
ethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine
CID 145168732
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine
CID 111099072
N-methyl-N-propan-2-ylcyclopropanamine
CID 21024125
(1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine
CID 166963473
2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine
CID 115907091
1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine
CID 79467774
1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine
CID 62411796

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine (CID 143778680) is 1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine is CC(C)CCC(C)N(C)C1CCC(N(C)C(C)CCC(C)C)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine?
The InChIKey is UIIKCROATQKUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2/c1-17(2)9-11-19(5)23(7)21-13-15-22(16-14-21)24(8)20(6)12-10-18(3)4/h17-22H,9-16H2,1-8H3.
What are the key properties of 1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine has a molecular weight of 338.62 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 143778680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).