2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine

C15H30N2 — CID 43614024

IUPAC2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine
SMILESCC1CCC(N)C(N(C)C2CCCCCC2)C1
InChIInChI=1S/C15H30N2/c1-12-9-10-14(16)15(11-12)17(2)13-7-5-3-4-6-8-13/h12-15H,3-11,16H2,1-2H3
InChIKeyQNJNUOFSAFDGAN-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.16
Rot. Bonds2

About 2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine

2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine (PubChem CID 43614024) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine
PubChem CID43614024
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine
SMILESCC1CCC(N)C(N(C)C2CCCCCC2)C1
InChIInChI=1S/C15H30N2/c1-12-9-10-14(16)15(11-12)17(2)13-7-5-3-4-6-8-13/h12-15H,3-11,16H2,1-2H3
InChIKeyQNJNUOFSAFDGAN-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine (CID 43614024) is 2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine is CC1CCC(N)C(N(C)C2CCCCCC2)C1.
What is the InChIKey of 2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine?
The InChIKey is QNJNUOFSAFDGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12-9-10-14(16)15(11-12)17(2)13-7-5-3-4-6-8-13/h12-15H,3-11,16H2,1-2H3.
What are the key properties of 2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine?
2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 43614024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).