2-(cyclohepten-1-yl)ethanamine;hydrochloride

C9H18ClN — CID 75421023

IUPAC2-(cyclohepten-1-yl)ethanamine;hydrochloride
SMILESCl.NCCC1=CCCCCC1
InChIInChI=1S/C9H17N.ClH/c10-8-7-9-5-3-1-2-4-6-9;/h5H,1-4,6-8,10H2;1H
InChIKeyRIMNISKZSDODER-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.65
Rot. Bonds2

About 2-(cyclohepten-1-yl)ethanamine;hydrochloride

2-(cyclohepten-1-yl)ethanamine;hydrochloride (PubChem CID 75421023) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 2-(cyclohepten-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(cyclohepten-1-yl)ethanamine;hydrochloride
PubChem CID75421023
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name2-(cyclohepten-1-yl)ethanamine;hydrochloride
SMILESCl.NCCC1=CCCCCC1
InChIInChI=1S/C9H17N.ClH/c10-8-7-9-5-3-1-2-4-6-9;/h5H,1-4,6-8,10H2;1H
InChIKeyRIMNISKZSDODER-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclododecen-1-ylmethanamine
CID 70571219
2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine
CID 158815051
N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 79003964
1-butylcyclononene
CID 56981158
dichloro-[2-(cyclohexen-1-yl)ethyl]silane
CID 154202254
1-[2-(cyclohexen-1-yl)ethyl]cyclohexan-1-amine
CID 13381213
1-pentylcyclododecene
CID 150654776
cyclododecen-1-ylmethanol
CID 70464862
1-hexylcycloheptene
CID 15587826
1-nonylcyclooctene
CID 151486862
9-amino-1-(cyclohexen-1-yl)nonan-4-one
CID 71055210
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohepten-1-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(cyclohepten-1-yl)ethanamine;hydrochloride (CID 75421023) is 2-(cyclohepten-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(cyclohepten-1-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(cyclohepten-1-yl)ethanamine;hydrochloride is Cl.NCCC1=CCCCCC1.
What is the InChIKey of 2-(cyclohepten-1-yl)ethanamine;hydrochloride?
The InChIKey is RIMNISKZSDODER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.ClH/c10-8-7-9-5-3-1-2-4-6-9;/h5H,1-4,6-8,10H2;1H.
What are the key properties of 2-(cyclohepten-1-yl)ethanamine;hydrochloride?
2-(cyclohepten-1-yl)ethanamine;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohepten-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 75421023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).