N'-cyclohexyl-2-ethenylpropane-1,3-diamine

C11H22N2 — CID 144798996

IUPACN'-cyclohexyl-2-ethenylpropane-1,3-diamine
SMILESC=CC(CN)CNC1CCCCC1
InChIInChI=1S/C11H22N2/c1-2-10(8-12)9-13-11-6-4-3-5-7-11/h2,10-11,13H,1,3-9,12H2
InChIKeyDUYKQAVHJPYNAH-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.67
Rot. Bonds5

About N'-cyclohexyl-2-ethenylpropane-1,3-diamine

N'-cyclohexyl-2-ethenylpropane-1,3-diamine (PubChem CID 144798996) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-cyclohexyl-2-ethenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-2-ethenylpropane-1,3-diamine
PubChem CID144798996
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-cyclohexyl-2-ethenylpropane-1,3-diamine
SMILESC=CC(CN)CNC1CCCCC1
InChIInChI=1S/C11H22N2/c1-2-10(8-12)9-13-11-6-4-3-5-7-11/h2,10-11,13H,1,3-9,12H2
InChIKeyDUYKQAVHJPYNAH-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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methanamine;N-prop-2-enylcyclohexanamine
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azane;N-prop-2-enylcyclohexanamine
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1-N-cyclododecylbutane-1,2-diamine
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N-(2-chloroethyl)cyclooctanamine
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1-(cyclooctylamino)propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-2-ethenylpropane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-2-ethenylpropane-1,3-diamine (CID 144798996) is N'-cyclohexyl-2-ethenylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-2-ethenylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-2-ethenylpropane-1,3-diamine is C=CC(CN)CNC1CCCCC1.
What is the InChIKey of N'-cyclohexyl-2-ethenylpropane-1,3-diamine?
The InChIKey is DUYKQAVHJPYNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-10(8-12)9-13-11-6-4-3-5-7-11/h2,10-11,13H,1,3-9,12H2.
What are the key properties of N'-cyclohexyl-2-ethenylpropane-1,3-diamine?
N'-cyclohexyl-2-ethenylpropane-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-2-ethenylpropane-1,3-diamine is sourced from PubChem (CID 144798996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).