N-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine

C17H27N — CID 106170231

IUPACN-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine
SMILESC1=C(CCNC2C3CC4CC(C3)CC2C4)CCC1
InChIInChI=1S/C17H27N/c1-2-4-12(3-1)5-6-18-17-15-8-13-7-14(10-15)11-16(17)9-13/h3,13-18H,1-2,4-11H2
InChIKeyVUQFBDCNZRZNPL-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.90
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine

N-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine (PubChem CID 106170231) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine
PubChem CID106170231
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine
SMILESC1=C(CCNC2C3CC4CC(C3)CC2C4)CCC1
InChIInChI=1S/C17H27N/c1-2-4-12(3-1)5-6-18-17-15-8-13-7-14(10-15)11-16(17)9-13/h3,13-18H,1-2,4-11H2
InChIKeyVUQFBDCNZRZNPL-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

N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61308957
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
2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 106178034
N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113349085
N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844817
N-[2-(cyclopenten-1-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 115895909
N-[2-(cyclopenten-1-yl)ethyl]-2-methyloxolan-3-amine
CID 115895899
N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine
CID 63331729
N-[2-(cyclopenten-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 104531626
3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione
CID 106173593
2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol
CID 60713815

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine (CID 106170231) is N-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine is C1=C(CCNC2C3CC4CC(C3)CC2C4)CCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine?
The InChIKey is VUQFBDCNZRZNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-2-4-12(3-1)5-6-18-17-15-8-13-7-14(10-15)11-16(17)9-13/h3,13-18H,1-2,4-11H2.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine?
N-[2-(cyclopenten-1-yl)ethyl]adamantan-2-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]adamantan-2-amine is sourced from PubChem (CID 106170231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).