1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-amine

C11H21NO — CID 104610790

IUPAC1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-amine
SMILESCOC1(C(N)C=C(C)C)CCCC1
InChIInChI=1S/C11H21NO/c1-9(2)8-10(12)11(13-3)6-4-5-7-11/h8,10H,4-7,12H2,1-3H3
InChIKeyLJNCLUKIEBLWBY-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.24
Rot. Bonds3

About 1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-amine

1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-amine (PubChem CID 104610790) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-amine
PubChem CID104610790
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-amine
SMILESCOC1(C(N)C=C(C)C)CCCC1
InChIInChI=1S/C11H21NO/c1-9(2)8-10(12)11(13-3)6-4-5-7-11/h8,10H,4-7,12H2,1-3H3
InChIKeyLJNCLUKIEBLWBY-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl-(2,2-dimethyl-3H-furan-5-yl)methanamine
CID 142810465
3-Methyl-1-(2-methyloxolan-2-yl)but-2-en-1-amine
CID 80174280
3-Methyl-1-(2-methyloxan-2-yl)but-2-en-1-amine
CID 80684871
1-(2,3-Dihydrofuran-5-yl)-2-propylpentan-1-amine
CID 102653472
3-(3-Methoxy-3-methylbutyl)cyclopent-2-en-1-amine
CID 103037571
1-(1-Methoxycyclobutyl)-4-methylpent-3-en-2-amine
CID 103559551
1-(1-Methoxycyclopentyl)prop-2-en-1-amine
CID 104610553
1-(1-Methoxycyclopentyl)-3-methylbut-3-en-1-amine
CID 104610557
1-(1-Methoxycyclopentyl)pent-4-en-1-amine
CID 104610591
1-(1-Methoxycyclopentyl)but-3-en-1-amine
CID 104610596
1-(1-Methoxycyclopentyl)-2-methylprop-2-en-1-amine
CID 104610736
1-(1-Methoxycyclopentyl)-3-methylidenepentan-1-amine
CID 104610766

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-amine?
The IUPAC name of 1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-amine (CID 104610790) is 1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-amine.
What is the SMILES notation for 1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-amine?
The canonical SMILES for 1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-amine is COC1(C(N)C=C(C)C)CCCC1.
What is the InChIKey of 1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-amine?
The InChIKey is LJNCLUKIEBLWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)8-10(12)11(13-3)6-4-5-7-11/h8,10H,4-7,12H2,1-3H3.
What are the key properties of 1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-amine?
1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 104610790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).