1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-3-en-2-amine

C14H27NO — CID 103559549

IUPAC1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)CC1(OC)CCC1
InChIInChI=1S/C14H27NO/c1-5-9-15-13(10-12(2)3)11-14(16-4)7-6-8-14/h10,13,15H,5-9,11H2,1-4H3
InChIKeyJWCSHALWULZIJY-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds7

About 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-3-en-2-amine

1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-3-en-2-amine (PubChem CID 103559549) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-3-en-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-3-en-2-amine
PubChem CID103559549
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)CC1(OC)CCC1
InChIInChI=1S/C14H27NO/c1-5-9-15-13(10-12(2)3)11-14(16-4)7-6-8-14/h10,13,15H,5-9,11H2,1-4H3
InChIKeyJWCSHALWULZIJY-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
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-butyl-5-methoxy-1,5-dimethylcyclohex-2-en-1-amine
CID 67926724
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
N-(4-methoxy-4-methylpentan-2-yl)cyclohex-3-en-1-amine
CID 65700674
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
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methoxybutan-2-amine
CID 103276830
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-3-en-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-3-en-2-amine (CID 103559549) is 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-3-en-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-3-en-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-3-en-2-amine is CCCNC(C=C(C)C)CC1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-3-en-2-amine?
The InChIKey is JWCSHALWULZIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-9-15-13(10-12(2)3)11-14(16-4)7-6-8-14/h10,13,15H,5-9,11H2,1-4H3.
What are the key properties of 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-3-en-2-amine?
1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-3-en-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-3-en-2-amine is sourced from PubChem (CID 103559549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).