5-(2-methylprop-2-enoxy)pentan-1-amine

C9H19NO — CID 82352892

IUPAC5-(2-methylprop-2-enoxy)pentan-1-amine
SMILESC=C(C)COCCCCCN
InChIInChI=1S/C9H19NO/c1-9(2)8-11-7-5-3-4-6-10/h1,3-8,10H2,2H3
InChIKeyXJHWXMXGQNPNNP-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.71
Rot. Bonds7

About 5-(2-methylprop-2-enoxy)pentan-1-amine

5-(2-methylprop-2-enoxy)pentan-1-amine (PubChem CID 82352892) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-(2-methylprop-2-enoxy)pentan-1-amine.

Molecular Properties

Compound Name5-(2-methylprop-2-enoxy)pentan-1-amine
PubChem CID82352892
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-(2-methylprop-2-enoxy)pentan-1-amine
SMILESC=C(C)COCCCCCN
InChIInChI=1S/C9H19NO/c1-9(2)8-11-7-5-3-4-6-10/h1,3-8,10H2,2H3
InChIKeyXJHWXMXGQNPNNP-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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'}

Analyze 5-(2-methylprop-2-enoxy)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Prop-2-enoxypentan-1-amine
CID 62440559
6-(2-Methylprop-2-enoxy)hexan-1-amine
CID 88851944
5-Prop-2-enoxypentan-1-amine;hydrochloride
CID 168187678
5-But-2-enoxypentan-1-amine
CID 76943664
2-(Pentoxymethyl)prop-2-en-1-amine
CID 103074638
4-(Methoxymethyl)pent-4-en-1-amine
CID 103392180
5-(3-Methylbut-3-enoxy)pentan-1-amine
CID 114470775
4-Ethoxy-3-methylidenepentan-1-amine
CID 165764469

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-2-enoxy)pentan-1-amine?
The IUPAC name of 5-(2-methylprop-2-enoxy)pentan-1-amine (CID 82352892) is 5-(2-methylprop-2-enoxy)pentan-1-amine.
What is the SMILES notation for 5-(2-methylprop-2-enoxy)pentan-1-amine?
The canonical SMILES for 5-(2-methylprop-2-enoxy)pentan-1-amine is C=C(C)COCCCCCN.
What is the InChIKey of 5-(2-methylprop-2-enoxy)pentan-1-amine?
The InChIKey is XJHWXMXGQNPNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2)8-11-7-5-3-4-6-10/h1,3-8,10H2,2H3.
What are the key properties of 5-(2-methylprop-2-enoxy)pentan-1-amine?
5-(2-methylprop-2-enoxy)pentan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-2-enoxy)pentan-1-amine is sourced from PubChem (CID 82352892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).