1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine

C11H23NO — CID 65049227

IUPAC1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine
SMILESC=CCCCNC(COC)C(C)C
InChIInChI=1S/C11H23NO/c1-5-6-7-8-12-11(9-13-4)10(2)3/h5,10-12H,1,6-9H2,2-4H3
InChIKeyFIXXJPWPFKQPHU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds8

About 1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine

1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine (PubChem CID 65049227) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine
PubChem CID65049227
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine
SMILESC=CCCCNC(COC)C(C)C
InChIInChI=1S/C11H23NO/c1-5-6-7-8-12-11(9-13-4)10(2)3/h5,10-12H,1,6-9H2,2-4H3
InChIKeyFIXXJPWPFKQPHU-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine
CID 81339100
N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
CID 65049550
N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine
CID 80694202
N,N'-bis(1-butoxy-3-methylbutan-2-yl)butane-1,4-diamine
CID 89076193
N-(5-methoxypentyl)hex-5-en-2-amine
CID 104582118
N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 102978065
3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol
CID 115705201
1-methoxy-N-propylnon-8-en-4-amine
CID 65091822
1-methoxy-N-propyldec-9-en-3-amine
CID 107008934
1,1-dimethoxy-N-propylhept-6-en-2-amine
CID 79493073
3-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpropanamide
CID 65048928

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine (CID 65049227) is 1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine is C=CCCCNC(COC)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine?
The InChIKey is FIXXJPWPFKQPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-6-7-8-12-11(9-13-4)10(2)3/h5,10-12H,1,6-9H2,2-4H3.
What are the key properties of 1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine?
1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine is sourced from PubChem (CID 65049227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).