1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine

C14H30N2 — CID 79111184

IUPAC1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C(C)CC(C)C)CC1
InChIInChI=1S/C14H30N2/c1-11(2)10-12(3)16(5)14-8-6-13(15-4)7-9-14/h11-15H,6-10H2,1-5H3
InChIKeyOTNDUNNLIOUUKS-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds5

About 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine (PubChem CID 79111184) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine
PubChem CID79111184
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C(C)CC(C)C)CC1
InChIInChI=1S/C14H30N2/c1-11(2)10-12(3)16(5)14-8-6-13(15-4)7-9-14/h11-15H,6-10H2,1-5H3
InChIKeyOTNDUNNLIOUUKS-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
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
4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79123232
4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one
CID 114762129
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
N-methyl-N-(4-methylpentan-2-yl)azetidin-3-amine
CID 62784615
1-N,4-N-dimethyl-4-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1,4-diamine
CID 114763561
1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine
CID 143778680
5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol
CID 107707663
ethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine
CID 145168732
4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 64718593
4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine
CID 116937215
N-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide
CID 79122448

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine (CID 79111184) is 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine is CNC1CCC(N(C)C(C)CC(C)C)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine?
The InChIKey is OTNDUNNLIOUUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(2)10-12(3)16(5)14-8-6-13(15-4)7-9-14/h11-15H,6-10H2,1-5H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79111184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).