N-(cyclohexylmethyl)prop-2-en-1-amine;hydrochloride

C10H20ClN — CID 17157895

IUPACN-(cyclohexylmethyl)prop-2-en-1-amine;hydrochloride
SMILESC=CCNCC1CCCCC1.Cl
InChIInChI=1S/C10H19N.ClH/c1-2-8-11-9-10-6-4-3-5-7-10;/h2,10-11H,1,3-9H2;1H
InChIKeyXVGBOIVNABNGNZ-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.76
Rot. Bonds4

About N-(cyclohexylmethyl)prop-2-en-1-amine;hydrochloride

N-(cyclohexylmethyl)prop-2-en-1-amine;hydrochloride (PubChem CID 17157895) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is N-(cyclohexylmethyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclohexylmethyl)prop-2-en-1-amine;hydrochloride
PubChem CID17157895
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC NameN-(cyclohexylmethyl)prop-2-en-1-amine;hydrochloride
SMILESC=CCNCC1CCCCC1.Cl
InChIInChI=1S/C10H19N.ClH/c1-2-8-11-9-10-6-4-3-5-7-10;/h2,10-11H,1,3-9H2;1H
InChIKeyXVGBOIVNABNGNZ-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of N-(cyclohexylmethyl)prop-2-en-1-amine;hydrochloride (CID 17157895) is N-(cyclohexylmethyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for N-(cyclohexylmethyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for N-(cyclohexylmethyl)prop-2-en-1-amine;hydrochloride is C=CCNCC1CCCCC1.Cl.
What is the InChIKey of N-(cyclohexylmethyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is XVGBOIVNABNGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.ClH/c1-2-8-11-9-10-6-4-3-5-7-10;/h2,10-11H,1,3-9H2;1H.
What are the key properties of N-(cyclohexylmethyl)prop-2-en-1-amine;hydrochloride?
N-(cyclohexylmethyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 189.73 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 17157895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).