(E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine

C10H21NO — CID 115890248

IUPAC(E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine
SMILESC/C=C/CCNC(C)COCC
InChIInChI=1S/C10H21NO/c1-4-6-7-8-11-10(3)9-12-5-2/h4,6,10-11H,5,7-9H2,1-3H3/b6-4+
InChIKeyBXMUDJXPQLRSDN-GQCTYLIASA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds7

About (E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine

(E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine (PubChem CID 115890248) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine
PubChem CID115890248
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine
SMILESC/C=C/CCNC(C)COCC
InChIInChI=1S/C10H21NO/c1-4-6-7-8-11-10(3)9-12-5-2/h4,6,10-11H,5,7-9H2,1-3H3/b6-4+
InChIKeyBXMUDJXPQLRSDN-GQCTYLIASA-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'}

Analyze (E)-N-(1-ethoxypropan-2-yl)pent-3-en-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

N-[(E)-pent-3-enyl]hexan-2-amine
CID 115890171
1-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713728
(E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine
CID 115890255
methyl 2-methyl-4-[[(E)-pent-3-enyl]amino]pentanoate
CID 104646363
N-(1-ethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 103033262
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine
CID 104562069
1-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-2-amine
CID 115707889
N-[(E)-pent-3-enyl]heptan-4-amine
CID 115677072
4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine
CID 146439046
N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine
CID 115707824
3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 113260256
N-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115718789

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine (CID 115890248) is (E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine is C/C=C/CCNC(C)COCC.
What is the InChIKey of (E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine?
The InChIKey is BXMUDJXPQLRSDN-GQCTYLIASA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-7-8-11-10(3)9-12-5-2/h4,6,10-11H,5,7-9H2,1-3H3/b6-4+.
What are the key properties of (E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine?
(E)-N-(1-ethoxypropan-2-yl)pent-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 (E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine is sourced from PubChem (CID 115890248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).