butane;(2E)-N-methoxypenta-2,4-dien-2-amine

C10H21NO — CID 142050769

IUPACbutane;(2E)-N-methoxypenta-2,4-dien-2-amine
SMILESC=C/C=C(\C)NOC.CCCC
InChIInChI=1S/C6H11NO.C4H10/c1-4-5-6(2)7-8-3;1-3-4-2/h4-5,7H,1H2,2-3H3;3-4H2,1-2H3/b6-5+;
InChIKeyCZZJNAPMWVFOMW-IPZCTEOASA-N
MW171.28 g/mol
LogP3.03
Rot. Bonds4

About butane;(2E)-N-methoxypenta-2,4-dien-2-amine

butane;(2E)-N-methoxypenta-2,4-dien-2-amine (PubChem CID 142050769) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is butane;(2E)-N-methoxypenta-2,4-dien-2-amine.

Molecular Properties

Compound Namebutane;(2E)-N-methoxypenta-2,4-dien-2-amine
PubChem CID142050769
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Namebutane;(2E)-N-methoxypenta-2,4-dien-2-amine
SMILESC=C/C=C(\C)NOC.CCCC
InChIInChI=1S/C6H11NO.C4H10/c1-4-5-6(2)7-8-3;1-3-4-2/h4-5,7H,1H2,2-3H3;3-4H2,1-2H3/b6-5+;
InChIKeyCZZJNAPMWVFOMW-IPZCTEOASA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze butane;(2E)-N-methoxypenta-2,4-dien-2-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

butane;(3E)-4-methoxypenta-1,3-diene
CID 142879851
(3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene
CID 143496592
N-[(2Z)-penta-2,4-dien-2-yl]pentanamide
CID 134525821
(2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine
CID 129144493
(3Z)-3-methoxyhexa-3,5-dien-2-one;propane
CID 144684932
(2E)-penta-2,4-dien-2-amine;propane
CID 143277472
butane;(2E)-N,2-dimethylpenta-2,4-dienamide
CID 143504833
1,1-diethoxybuta-1,3-diene
CID 19609197
(3E)-4-methoxy-5-methylidenehepta-1,3-diene
CID 169163685
(3E,5Z)-4-methoxydeca-1,3,5-triene
CID 143017983
ethyl (4Z)-4-methoxyhepta-4,6-dienoate
CID 13483537
[(1Z)-1-octadecoxybuta-1,3-dienyl] acetate
CID 141066572

Frequently Asked Questions

What is the IUPAC name of butane;(2E)-N-methoxypenta-2,4-dien-2-amine?
The IUPAC name of butane;(2E)-N-methoxypenta-2,4-dien-2-amine (CID 142050769) is butane;(2E)-N-methoxypenta-2,4-dien-2-amine.
What is the SMILES notation for butane;(2E)-N-methoxypenta-2,4-dien-2-amine?
The canonical SMILES for butane;(2E)-N-methoxypenta-2,4-dien-2-amine is C=C/C=C(\C)NOC.CCCC.
What is the InChIKey of butane;(2E)-N-methoxypenta-2,4-dien-2-amine?
The InChIKey is CZZJNAPMWVFOMW-IPZCTEOASA-N. The full InChI is InChI=1S/C6H11NO.C4H10/c1-4-5-6(2)7-8-3;1-3-4-2/h4-5,7H,1H2,2-3H3;3-4H2,1-2H3/b6-5+;.
What are the key properties of butane;(2E)-N-methoxypenta-2,4-dien-2-amine?
butane;(2E)-N-methoxypenta-2,4-dien-2-amine has a molecular weight of 171.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(2E)-N-methoxypenta-2,4-dien-2-amine is sourced from PubChem (CID 142050769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).