N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine

C17H27N — CID 106170204

IUPACN-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESC1=C(CCNC2CC3CC2C2CCCC32)CCC1
InChIInChI=1S/C17H27N/c1-2-5-12(4-1)8-9-18-17-11-13-10-16(17)15-7-3-6-14(13)15/h4,13-18H,1-3,5-11H2
InChIKeyUJUOKPXQCKTDKM-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.90
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 106170204) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID106170204
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESC1=C(CCNC2CC3CC2C2CCCC32)CCC1
InChIInChI=1S/C17H27N/c1-2-5-12(4-1)8-9-18-17-11-13-10-16(17)15-7-3-6-14(13)15/h4,13-18H,1-3,5-11H2
InChIKeyUJUOKPXQCKTDKM-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.90
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

2-cyclohexyl-N-[2-(cyclopenten-1-yl)ethyl]cyclohexan-1-amine
CID 106169105
N-[2-(3-methylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 63477283
2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol
CID 60713815
2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 106178034
N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61308957
cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine
CID 97030527
N-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine
CID 106170231
N-[2-(cyclopenten-1-yl)ethyl]-2-methyloxolan-3-amine
CID 115895899
N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 43078509
(1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 124708804
(1R,2S,6S,7S,8S)-N-(cyclopropylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 98119188
N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 115886378

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 106170204) is N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine is C1=C(CCNC2CC3CC2C2CCCC32)CCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is UJUOKPXQCKTDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-2-5-12(4-1)8-9-18-17-11-13-10-16(17)15-7-3-6-14(13)15/h4,13-18H,1-3,5-11H2.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 245.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 106170204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).