N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C15H25N — CID 61308957

IUPACN-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESC1=C(CCNC2CC3CCC2C3)CCCC1
InChIInChI=1S/C15H25N/c1-2-4-12(5-3-1)8-9-16-15-11-13-6-7-14(15)10-13/h4,13-16H,1-3,5-11H2
InChIKeyZREFYCDTPFTMOQ-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.66
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 61308957) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID61308957
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESC1=C(CCNC2CC3CCC2C3)CCCC1
InChIInChI=1S/C15H25N/c1-2-4-12(5-3-1)8-9-16-15-11-13-6-7-14(15)10-13/h4,13-16H,1-3,5-11H2
InChIKeyZREFYCDTPFTMOQ-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.66
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

N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 43078509
2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol
CID 60713815
N-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine
CID 106170231
N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 106170204
2-cyclohexyl-N-[2-(cyclopenten-1-yl)ethyl]cyclohexan-1-amine
CID 106169105
N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine
CID 63331729
2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 106178034
N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 106169922
(1R,2S,4S)-N-[2-(4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 784416
N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131687
N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 104695103
N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 65232015

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 61308957) is N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is C1=C(CCNC2CC3CCC2C3)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZREFYCDTPFTMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-2-4-12(5-3-1)8-9-16-15-11-13-6-7-14(15)10-13/h4,13-16H,1-3,5-11H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 219.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61308957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).