2-N-hexan-3-yl-1-propan-2-ylcyclohexane-1,2-diamine

C15H32N2 — CID 69189540

IUPAC2-N-hexan-3-yl-1-propan-2-ylcyclohexane-1,2-diamine
SMILESCCCC(CC)NC1CCCCC1(N)C(C)C
InChIInChI=1S/C15H32N2/c1-5-9-13(6-2)17-14-10-7-8-11-15(14,16)12(3)4/h12-14,17H,5-11,16H2,1-4H3
InChIKeyXSKLDBGNTFRCMX-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.45
Rot. Bonds6

About 2-N-hexan-3-yl-1-propan-2-ylcyclohexane-1,2-diamine

2-N-hexan-3-yl-1-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 69189540) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-N-hexan-3-yl-1-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-hexan-3-yl-1-propan-2-ylcyclohexane-1,2-diamine
PubChem CID69189540
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-N-hexan-3-yl-1-propan-2-ylcyclohexane-1,2-diamine
SMILESCCCC(CC)NC1CCCCC1(N)C(C)C
InChIInChI=1S/C15H32N2/c1-5-9-13(6-2)17-14-10-7-8-11-15(14,16)12(3)4/h12-14,17H,5-11,16H2,1-4H3
InChIKeyXSKLDBGNTFRCMX-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-hexan-3-yl-1-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-hexan-3-yl-1-propan-2-ylcyclohexane-1,2-diamine (CID 69189540) is 2-N-hexan-3-yl-1-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-hexan-3-yl-1-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-hexan-3-yl-1-propan-2-ylcyclohexane-1,2-diamine is CCCC(CC)NC1CCCCC1(N)C(C)C.
What is the InChIKey of 2-N-hexan-3-yl-1-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is XSKLDBGNTFRCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-9-13(6-2)17-14-10-7-8-11-15(14,16)12(3)4/h12-14,17H,5-11,16H2,1-4H3.
What are the key properties of 2-N-hexan-3-yl-1-propan-2-ylcyclohexane-1,2-diamine?
2-N-hexan-3-yl-1-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hexan-3-yl-1-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 69189540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).