4-methoxypent-4-ene-2,3-diamine

C6H14N2O — CID 163818178

IUPAC4-methoxypent-4-ene-2,3-diamine
SMILESC=C(OC)C(N)C(C)N
InChIInChI=1S/C6H14N2O/c1-4(7)6(8)5(2)9-3/h4,6H,2,7-8H2,1,3H3
InChIKeyNTCTYPKVAARSLS-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.18
Rot. Bonds3

About 4-methoxypent-4-ene-2,3-diamine

4-methoxypent-4-ene-2,3-diamine (PubChem CID 163818178) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 4-methoxypent-4-ene-2,3-diamine.

Molecular Properties

Compound Name4-methoxypent-4-ene-2,3-diamine
PubChem CID163818178
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name4-methoxypent-4-ene-2,3-diamine
SMILESC=C(OC)C(N)C(C)N
InChIInChI=1S/C6H14N2O/c1-4(7)6(8)5(2)9-3/h4,6H,2,7-8H2,1,3H3
InChIKeyNTCTYPKVAARSLS-UHFFFAOYSA-N
XLogP-0.18
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-Fluoro-5-methoxyhexa-1,5-dien-3-amine
CID 134447268
2-(3-Aminopent-1-en-2-yloxy)pent-1-en-3-amine
CID 87195393
(2R)-3-methoxybut-3-en-2-amine
CID 89035486
(3R)-2-methoxy-4-methylpent-1-en-3-amine
CID 118521566
4-Methoxypent-4-en-2-amine
CID 123621795
(2S)-3-methoxybut-3-en-2-amine
CID 124185014
2-Methoxy-4-methylpent-1-en-3-amine
CID 143633727
(2R)-4-methoxypent-4-en-2-amine
CID 144958528
2-Methoxyhex-1-en-3-amine
CID 142372892

Frequently Asked Questions

What is the IUPAC name of 4-methoxypent-4-ene-2,3-diamine?
The IUPAC name of 4-methoxypent-4-ene-2,3-diamine (CID 163818178) is 4-methoxypent-4-ene-2,3-diamine.
What is the SMILES notation for 4-methoxypent-4-ene-2,3-diamine?
The canonical SMILES for 4-methoxypent-4-ene-2,3-diamine is C=C(OC)C(N)C(C)N.
What is the InChIKey of 4-methoxypent-4-ene-2,3-diamine?
The InChIKey is NTCTYPKVAARSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-4(7)6(8)5(2)9-3/h4,6H,2,7-8H2,1,3H3.
What are the key properties of 4-methoxypent-4-ene-2,3-diamine?
4-methoxypent-4-ene-2,3-diamine has a molecular weight of 130.19 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypent-4-ene-2,3-diamine is sourced from PubChem (CID 163818178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).