3-(1-methoxypropan-2-yl)cyclohept-2-en-1-amine

C11H21NO — CID 107383109

IUPAC3-(1-methoxypropan-2-yl)cyclohept-2-en-1-amine
SMILESCOCC(C)C1=CC(N)CCCC1
InChIInChI=1S/C11H21NO/c1-9(8-13-2)10-5-3-4-6-11(12)7-10/h7,9,11H,3-6,8,12H2,1-2H3
InChIKeyAKWKVPRHLHIJDS-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.10
Rot. Bonds3

About 3-(1-methoxypropan-2-yl)cyclohept-2-en-1-amine

3-(1-methoxypropan-2-yl)cyclohept-2-en-1-amine (PubChem CID 107383109) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yl)cyclohept-2-en-1-amine.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yl)cyclohept-2-en-1-amine
PubChem CID107383109
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(1-methoxypropan-2-yl)cyclohept-2-en-1-amine
SMILESCOCC(C)C1=CC(N)CCCC1
InChIInChI=1S/C11H21NO/c1-9(8-13-2)10-5-3-4-6-11(12)7-10/h7,9,11H,3-6,8,12H2,1-2H3
InChIKeyAKWKVPRHLHIJDS-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
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

4-(Cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine
CID 106655077
2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine
CID 70892626
4-(3-Methoxypropyl)cyclohex-3-en-1-amine
CID 89131571
4-(2,3,6,7-Tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine
CID 142935844
4-(3-Aminocyclohexen-1-yl)-3-methylbutan-1-ol
CID 147331080
4-(5-Methylideneoxepan-4-yl)butan-2-amine
CID 155364933
(Z,2R)-5-(1-methoxyethyl)-3,8-dimethylnon-3-en-2-amine
CID 156450643
2-(Methoxymethyl)-4-methylcyclohex-2-en-1-amine
CID 167163414
Cyclohepten-1-yl(oxolan-3-yl)methanamine
CID 62078202
Cyclopenten-1-yl(oxan-4-yl)methanamine
CID 62904964
Cyclohepten-1-yl(oxan-4-yl)methanamine
CID 62905141
1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62905142

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-yl)cyclohept-2-en-1-amine?
The IUPAC name of 3-(1-methoxypropan-2-yl)cyclohept-2-en-1-amine (CID 107383109) is 3-(1-methoxypropan-2-yl)cyclohept-2-en-1-amine.
What is the SMILES notation for 3-(1-methoxypropan-2-yl)cyclohept-2-en-1-amine?
The canonical SMILES for 3-(1-methoxypropan-2-yl)cyclohept-2-en-1-amine is COCC(C)C1=CC(N)CCCC1.
What is the InChIKey of 3-(1-methoxypropan-2-yl)cyclohept-2-en-1-amine?
The InChIKey is AKWKVPRHLHIJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(8-13-2)10-5-3-4-6-11(12)7-10/h7,9,11H,3-6,8,12H2,1-2H3.
What are the key properties of 3-(1-methoxypropan-2-yl)cyclohept-2-en-1-amine?
3-(1-methoxypropan-2-yl)cyclohept-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-yl)cyclohept-2-en-1-amine is sourced from PubChem (CID 107383109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).