2-methyl-3-pent-4-enoxypropan-1-amine

C9H19NO — CID 103074871

IUPAC2-methyl-3-pent-4-enoxypropan-1-amine
SMILESC=CCCCOCC(C)CN
InChIInChI=1S/C9H19NO/c1-3-4-5-6-11-8-9(2)7-10/h3,9H,1,4-8,10H2,2H3
InChIKeyJAOUMZPNEJBFFN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.56
Rot. Bonds7

About 2-methyl-3-pent-4-enoxypropan-1-amine

2-methyl-3-pent-4-enoxypropan-1-amine (PubChem CID 103074871) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methyl-3-pent-4-enoxypropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-pent-4-enoxypropan-1-amine
PubChem CID103074871
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methyl-3-pent-4-enoxypropan-1-amine
SMILESC=CCCCOCC(C)CN
InChIInChI=1S/C9H19NO/c1-3-4-5-6-11-8-9(2)7-10/h3,9H,1,4-8,10H2,2H3
InChIKeyJAOUMZPNEJBFFN-UHFFFAOYSA-N
XLogP1.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.56
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-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine
CID 103074881
3-ethoxy-2-methylpropan-1-amine
CID 43175050
9-(2-non-8-enoxypropoxy)non-1-ene
CID 168985455
2-amino-3-pent-4-enoxypropanoic acid
CID 79114694
3-(2-cyclopropylethoxy)-2-methylpropan-1-amine
CID 106203362
5-(pent-4-enoxymethoxy)pent-1-ene
CID 102227605
2-methylpropyl pent-4-enyl carbonate
CID 91694409
12-dodec-11-enoxydodec-1-ene
CID 87325659
2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114442
5-(2-bromoethoxy)pent-1-ene
CID 79115016
5-[(E)-but-2-enoxy]pent-1-ene
CID 173358116
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pent-4-enoxypropan-1-amine?
The IUPAC name of 2-methyl-3-pent-4-enoxypropan-1-amine (CID 103074871) is 2-methyl-3-pent-4-enoxypropan-1-amine.
What is the SMILES notation for 2-methyl-3-pent-4-enoxypropan-1-amine?
The canonical SMILES for 2-methyl-3-pent-4-enoxypropan-1-amine is C=CCCCOCC(C)CN.
What is the InChIKey of 2-methyl-3-pent-4-enoxypropan-1-amine?
The InChIKey is JAOUMZPNEJBFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-5-6-11-8-9(2)7-10/h3,9H,1,4-8,10H2,2H3.
What are the key properties of 2-methyl-3-pent-4-enoxypropan-1-amine?
2-methyl-3-pent-4-enoxypropan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pent-4-enoxypropan-1-amine is sourced from PubChem (CID 103074871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).