1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine

C14H22N2 — CID 12986256

IUPAC1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine
SMILESCN(C)C1(c2ccccc2)CCC(N)CC1
InChIInChI=1S/C14H22N2/c1-16(2)14(10-8-13(15)9-11-14)12-6-4-3-5-7-12/h3-7,13H,8-11,15H2,1-2H3
InChIKeyKVRGHMFZWJMOBY-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.34
Rot. Bonds2

About 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine

1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine (PubChem CID 12986256) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine
PubChem CID12986256
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine
SMILESCN(C)C1(c2ccccc2)CCC(N)CC1
InChIInChI=1S/C14H22N2/c1-16(2)14(10-8-13(15)9-11-14)12-6-4-3-5-7-12/h3-7,13H,8-11,15H2,1-2H3
InChIKeyKVRGHMFZWJMOBY-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine?
The IUPAC name of 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine (CID 12986256) is 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine is CN(C)C1(c2ccccc2)CCC(N)CC1.
What is the InChIKey of 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine?
The InChIKey is KVRGHMFZWJMOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16(2)14(10-8-13(15)9-11-14)12-6-4-3-5-7-12/h3-7,13H,8-11,15H2,1-2H3.
What are the key properties of 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine?
1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine is sourced from PubChem (CID 12986256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).