N-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine

C11H21N — CID 123717453

IUPACN-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine
SMILESCNC(C)C1CC=CC1C(C)C
InChIInChI=1S/C11H21N/c1-8(2)10-6-5-7-11(10)9(3)12-4/h5-6,8-12H,7H2,1-4H3
InChIKeyXEHJRVPSZCLIMV-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.44
Rot. Bonds3

About N-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine

N-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine (PubChem CID 123717453) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine
PubChem CID123717453
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine
SMILESCNC(C)C1CC=CC1C(C)C
InChIInChI=1S/C11H21N/c1-8(2)10-6-5-7-11(10)9(3)12-4/h5-6,8-12H,7H2,1-4H3
InChIKeyXEHJRVPSZCLIMV-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.44
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

4-Hexenylamine, N,1,2,5-tetramethyl-
CID 49627
Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
Ethylamine, 2-(2-cyclopentenyl)-1-methyl-
CID 49663
3-Cyclohexene-1-methylamine, N-cyclopropyl-
CID 204181
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
(Bicyclo(2.2.1)hept-5-en-2-ylmethyl)(propan-2-yl)amine
CID 43225117
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
{[(1R)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798572
{[(1S)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798581
Bicyclo[2.2.1]hept-5-en-2-yl-methylamine
CID 53486278

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine?
The IUPAC name of N-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine (CID 123717453) is N-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine?
The canonical SMILES for N-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine is CNC(C)C1CC=CC1C(C)C.
What is the InChIKey of N-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine?
The InChIKey is XEHJRVPSZCLIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)10-6-5-7-11(10)9(3)12-4/h5-6,8-12H,7H2,1-4H3.
What are the key properties of N-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine?
N-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine has a molecular weight of 167.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine is sourced from PubChem (CID 123717453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).