3-(4-methoxybutan-2-yl)cyclohept-2-en-1-amine

C12H23NO — CID 107383296

IUPAC3-(4-methoxybutan-2-yl)cyclohept-2-en-1-amine
SMILESCOCCC(C)C1=CC(N)CCCC1
InChIInChI=1S/C12H23NO/c1-10(7-8-14-2)11-5-3-4-6-12(13)9-11/h9-10,12H,3-8,13H2,1-2H3
InChIKeyMFBQGUXVIFTZLZ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.49
Rot. Bonds4

About 3-(4-methoxybutan-2-yl)cyclohept-2-en-1-amine

3-(4-methoxybutan-2-yl)cyclohept-2-en-1-amine (PubChem CID 107383296) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(4-methoxybutan-2-yl)cyclohept-2-en-1-amine.

Molecular Properties

Compound Name3-(4-methoxybutan-2-yl)cyclohept-2-en-1-amine
PubChem CID107383296
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(4-methoxybutan-2-yl)cyclohept-2-en-1-amine
SMILESCOCCC(C)C1=CC(N)CCCC1
InChIInChI=1S/C12H23NO/c1-10(7-8-14-2)11-5-3-4-6-12(13)9-11/h9-10,12H,3-8,13H2,1-2H3
InChIKeyMFBQGUXVIFTZLZ-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.49
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

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4-[4-(Methoxymethyl)cyclohex-3-en-1-yl]butan-2-amine
CID 68340930
4-(3-Methoxypropyl)cyclohex-3-en-1-amine
CID 89131571
(E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine
CID 118282127
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CID 122691909
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutan-2-yl)cyclohept-2-en-1-amine?
The IUPAC name of 3-(4-methoxybutan-2-yl)cyclohept-2-en-1-amine (CID 107383296) is 3-(4-methoxybutan-2-yl)cyclohept-2-en-1-amine.
What is the SMILES notation for 3-(4-methoxybutan-2-yl)cyclohept-2-en-1-amine?
The canonical SMILES for 3-(4-methoxybutan-2-yl)cyclohept-2-en-1-amine is COCCC(C)C1=CC(N)CCCC1.
What is the InChIKey of 3-(4-methoxybutan-2-yl)cyclohept-2-en-1-amine?
The InChIKey is MFBQGUXVIFTZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(7-8-14-2)11-5-3-4-6-12(13)9-11/h9-10,12H,3-8,13H2,1-2H3.
What are the key properties of 3-(4-methoxybutan-2-yl)cyclohept-2-en-1-amine?
3-(4-methoxybutan-2-yl)cyclohept-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutan-2-yl)cyclohept-2-en-1-amine is sourced from PubChem (CID 107383296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).