1-(1-methoxycyclobutyl)-N,4-dimethylpent-3-en-2-amine

C12H23NO — CID 103559550

IUPAC1-(1-methoxycyclobutyl)-N,4-dimethylpent-3-en-2-amine
SMILESCNC(C=C(C)C)CC1(OC)CCC1
InChIInChI=1S/C12H23NO/c1-10(2)8-11(13-3)9-12(14-4)6-5-7-12/h8,11,13H,5-7,9H2,1-4H3
InChIKeyFGPGNXRMBTZQJJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds5

About 1-(1-methoxycyclobutyl)-N,4-dimethylpent-3-en-2-amine

1-(1-methoxycyclobutyl)-N,4-dimethylpent-3-en-2-amine (PubChem CID 103559550) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-N,4-dimethylpent-3-en-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-N,4-dimethylpent-3-en-2-amine
PubChem CID103559550
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(1-methoxycyclobutyl)-N,4-dimethylpent-3-en-2-amine
SMILESCNC(C=C(C)C)CC1(OC)CCC1
InChIInChI=1S/C12H23NO/c1-10(2)8-11(13-3)9-12(14-4)6-5-7-12/h8,11,13H,5-7,9H2,1-4H3
InChIKeyFGPGNXRMBTZQJJ-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
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

N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147114
N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 61951110
6-methoxy-N,2,6-trimethylhept-2-en-4-amine
CID 103028495
N-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine
CID 103028497
6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine
CID 103028498
1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556339
N-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556340
1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556342
1-(cyclopenten-1-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556343
N-[1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556344
1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556346
N-[1-(cyclohepten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556347

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-N,4-dimethylpent-3-en-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-N,4-dimethylpent-3-en-2-amine (CID 103559550) is 1-(1-methoxycyclobutyl)-N,4-dimethylpent-3-en-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-N,4-dimethylpent-3-en-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-N,4-dimethylpent-3-en-2-amine is CNC(C=C(C)C)CC1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-N,4-dimethylpent-3-en-2-amine?
The InChIKey is FGPGNXRMBTZQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)8-11(13-3)9-12(14-4)6-5-7-12/h8,11,13H,5-7,9H2,1-4H3.
What are the key properties of 1-(1-methoxycyclobutyl)-N,4-dimethylpent-3-en-2-amine?
1-(1-methoxycyclobutyl)-N,4-dimethylpent-3-en-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-N,4-dimethylpent-3-en-2-amine is sourced from PubChem (CID 103559550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).