1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine

C15H29NO — CID 103559831

IUPAC1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine
SMILESC=C(C)CCC(CC1(OC)CCC1)NCCC
InChIInChI=1S/C15H29NO/c1-5-11-16-14(8-7-13(2)3)12-15(17-4)9-6-10-15/h14,16H,2,5-12H2,1,3-4H3
InChIKeyXCORHGRSWKXGNK-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.67
Rot. Bonds9

About 1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine

1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine (PubChem CID 103559831) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine
PubChem CID103559831
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine
SMILESC=C(C)CCC(CC1(OC)CCC1)NCCC
InChIInChI=1S/C15H29NO/c1-5-11-16-14(8-7-13(2)3)12-15(17-4)9-6-10-15/h14,16H,2,5-12H2,1,3-4H3
InChIKeyXCORHGRSWKXGNK-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.67
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)-4-methyl-N-propylpent-4-en-2-amine
CID 103559545
1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine
CID 105039623
N-ethyl-1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-amine
CID 103559552
1-methoxy-2,7-dimethyl-N-propyloct-7-en-4-amine
CID 105182583
1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114476070
1-(1-methoxycyclobutyl)-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103557053
1-(furan-2-yl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103559757
N-[1-cyclobutyl-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559916
1-(1-methoxycyclobutyl)-4-methylpent-4-en-2-ol
CID 103560172
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine (CID 103559831) is 1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine is C=C(C)CCC(CC1(OC)CCC1)NCCC.
What is the InChIKey of 1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine?
The InChIKey is XCORHGRSWKXGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-11-16-14(8-7-13(2)3)12-15(17-4)9-6-10-15/h14,16H,2,5-12H2,1,3-4H3.
What are the key properties of 1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine?
1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine is sourced from PubChem (CID 103559831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).