1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine

C16H32N2 — CID 114264928

IUPAC1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine
SMILESCN(CC(N)CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H32N2/c1-18(16-10-6-3-7-11-16)13-15(17)12-14-8-4-2-5-9-14/h14-16H,2-13,17H2,1H3
InChIKeyXHDDHHSPNBGNNM-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.55
Rot. Bonds5

About 1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine

1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine (PubChem CID 114264928) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine
PubChem CID114264928
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine
SMILESCN(CC(N)CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H32N2/c1-18(16-10-6-3-7-11-16)13-15(17)12-14-8-4-2-5-9-14/h14-16H,2-13,17H2,1H3
InChIKeyXHDDHHSPNBGNNM-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine (CID 114264928) is 1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine is CN(CC(N)CC1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine?
The InChIKey is XHDDHHSPNBGNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-18(16-10-6-3-7-11-16)13-15(17)12-14-8-4-2-5-9-14/h14-16H,2-13,17H2,1H3.
What are the key properties of 1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine?
1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 114264928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).