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

C14H27NO — CID 103559545

IUPAC1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-4-en-2-amine
SMILESC=C(C)CC(CC1(OC)CCC1)NCCC
InChIInChI=1S/C14H27NO/c1-5-9-15-13(10-12(2)3)11-14(16-4)7-6-8-14/h13,15H,2,5-11H2,1,3-4H3
InChIKeyHWJPZROMWYUBPX-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds8

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

1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-4-en-2-amine (PubChem CID 103559545) 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-4-en-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-4-en-2-amine
PubChem CID103559545
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-4-en-2-amine
SMILESC=C(C)CC(CC1(OC)CCC1)NCCC
InChIInChI=1S/C14H27NO/c1-5-9-15-13(10-12(2)3)11-14(16-4)7-6-8-14/h13,15H,2,5-11H2,1,3-4H3
InChIKeyHWJPZROMWYUBPX-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine
CID 103559831
1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-ol
CID 103560172
N-ethyl-1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-amine
CID 103559552
1-(1-methoxycyclopentyl)-3-methyl-N-propylbut-3-en-1-amine
CID 104611348
1-(1-methoxycycloheptyl)-3-methyl-N-propylbut-3-en-1-amine
CID 116770456
1-(furan-2-yl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103559757
1-(2-methoxyethoxy)-5-methyl-N-propylhex-5-en-3-amine
CID 102928563
N-[1-cyclobutyl-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559916
1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 103559122
1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556973
1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103557055
1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107064405

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-4-en-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-4-en-2-amine (CID 103559545) is 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-4-en-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-4-en-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-4-en-2-amine is C=C(C)CC(CC1(OC)CCC1)NCCC.
What is the InChIKey of 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-4-en-2-amine?
The InChIKey is HWJPZROMWYUBPX-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/h13,15H,2,5-11H2,1,3-4H3.
What are the key properties of 1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-4-en-2-amine?
1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-4-en-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 8 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-4-en-2-amine is sourced from PubChem (CID 103559545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).