(2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen

C10H20N2 — CID 178168575

IUPAC(2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen
SMILESC=C/C=C(\C=N\C)CNCCC.[H][H]
InChIInChI=1S/C10H18N2.H2/c1-4-6-10(8-11-3)9-12-7-5-2;/h4,6,8,12H,1,5,7,9H2,2-3H3;1H/b10-6+,11-8+;
InChIKeyCMVSITIRXJFGNK-ULNXZZPKSA-N
MW168.28 g/mol
LogP2.05
Rot. Bonds6

About (2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen

(2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen (PubChem CID 178168575) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen.

Molecular Properties

Compound Name(2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen
PubChem CID178168575
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen
SMILESC=C/C=C(\C=N\C)CNCCC.[H][H]
InChIInChI=1S/C10H18N2.H2/c1-4-6-10(8-11-3)9-12-7-5-2;/h4,6,8,12H,1,5,7,9H2,2-3H3;1H/b10-6+,11-8+;
InChIKeyCMVSITIRXJFGNK-ULNXZZPKSA-N
XLogP2.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen 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

ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
CID 144617318
2-bromo-N-propylprop-2-en-1-amine
CID 60873947
(2E)-2-ethylpenta-2,4-dienal
CID 88543271
ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen
CID 143290787
(3E,5R,6R)-6-(methylamino)-4-(methyliminomethyl)nona-1,3-dien-5-ol
CID 167118087
N-prop-2-enyl-2-(propylamino)acetamide
CID 54819030
N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 166868320
N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 142294235
7-[[(Z,2E)-6-hydroxy-2-prop-2-enylideneundec-3-enyl]amino]heptanoic acid
CID 143416915
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079
(2E)-2-ethylidene-N-methylpent-4-en-1-imine
CID 144940239

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen?
The IUPAC name of (2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen (CID 178168575) is (2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen.
What is the SMILES notation for (2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen?
The canonical SMILES for (2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen is C=C/C=C(\C=N\C)CNCCC.[H][H].
What is the InChIKey of (2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen?
The InChIKey is CMVSITIRXJFGNK-ULNXZZPKSA-N. The full InChI is InChI=1S/C10H18N2.H2/c1-4-6-10(8-11-3)9-12-7-5-2;/h4,6,8,12H,1,5,7,9H2,2-3H3;1H/b10-6+,11-8+;.
What are the key properties of (2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen?
(2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen has a molecular weight of 168.28 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen is sourced from PubChem (CID 178168575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).