1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine

C14H30N2 — CID 62623516

IUPAC1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine
SMILESCN(CCC(N)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H30N2/c1-14(2,3)13(15)10-11-16(4)12-8-6-5-7-9-12/h12-13H,5-11,15H2,1-4H3
InChIKeyINUNQKGPRAAAQH-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.01
Rot. Bonds4

About 1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine

1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine (PubChem CID 62623516) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine
PubChem CID62623516
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine
SMILESCN(CCC(N)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H30N2/c1-14(2,3)13(15)10-11-16(4)12-8-6-5-7-9-12/h12-13H,5-11,15H2,1-4H3
InChIKeyINUNQKGPRAAAQH-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine?
The IUPAC name of 1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine (CID 62623516) is 1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine is CN(CCC(N)C(C)(C)C)C1CCCCC1.
What is the InChIKey of 1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine?
The InChIKey is INUNQKGPRAAAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-14(2,3)13(15)10-11-16(4)12-8-6-5-7-9-12/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine?
1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-1-N,4,4-trimethylpentane-1,3-diamine is sourced from PubChem (CID 62623516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).