5-methoxy-4-methyl-N-propylpent-3-en-1-amine

C10H21NO — CID 79599750

IUPAC5-methoxy-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)COC
InChIInChI=1S/C10H21NO/c1-4-7-11-8-5-6-10(2)9-12-3/h6,11H,4-5,7-9H2,1-3H3
InChIKeyKVBPNRTXAFZIHY-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds7

About 5-methoxy-4-methyl-N-propylpent-3-en-1-amine

5-methoxy-4-methyl-N-propylpent-3-en-1-amine (PubChem CID 79599750) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-methoxy-4-methyl-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name5-methoxy-4-methyl-N-propylpent-3-en-1-amine
PubChem CID79599750
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-methoxy-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)COC
InChIInChI=1S/C10H21NO/c1-4-7-11-8-5-6-10(2)9-12-3/h6,11H,4-5,7-9H2,1-3H3
InChIKeyKVBPNRTXAFZIHY-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
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

4-methyl-5-propoxy-N-propylpent-3-en-1-amine
CID 79598097
4-methyl-N-propylpent-3-en-1-amine
CID 62548656
4-methyl-N-propylnon-3-en-1-amine
CID 79597954
4-methyl-N-propylundec-3-en-1-amine
CID 79597955
N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine
CID 79598630
5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598739
4-methyl-5-(2-methylphenyl)-N-propylpent-3-en-1-amine
CID 79599626
N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine
CID 79607917
4-methyl-7-methylsulfonyl-N-propylhept-3-en-1-amine
CID 79599261
5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598736
(2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 101334323
4-methyl-5-(oxolan-2-yl)-N-propylpent-3-en-1-amine
CID 79598732

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-N-propylpent-3-en-1-amine?
The IUPAC name of 5-methoxy-4-methyl-N-propylpent-3-en-1-amine (CID 79599750) is 5-methoxy-4-methyl-N-propylpent-3-en-1-amine.
What is the SMILES notation for 5-methoxy-4-methyl-N-propylpent-3-en-1-amine?
The canonical SMILES for 5-methoxy-4-methyl-N-propylpent-3-en-1-amine is CCCNCCC=C(C)COC.
What is the InChIKey of 5-methoxy-4-methyl-N-propylpent-3-en-1-amine?
The InChIKey is KVBPNRTXAFZIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-7-11-8-5-6-10(2)9-12-3/h6,11H,4-5,7-9H2,1-3H3.
What are the key properties of 5-methoxy-4-methyl-N-propylpent-3-en-1-amine?
5-methoxy-4-methyl-N-propylpent-3-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79599750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).