(3Z)-2-methyliminohexa-3,5-dien-1-amine;propane

C10H20N2 — CID 142057531

IUPAC(3Z)-2-methyliminohexa-3,5-dien-1-amine;propane
SMILESC=C/C=C\C(CN)=N\C.CCC
InChIInChI=1S/C7H12N2.C3H8/c1-3-4-5-7(6-8)9-2;1-3-2/h3-5H,1,6,8H2,2H3;3H2,1-2H3/b5-4-,9-7-;
InChIKeyBBXVMTAIWBBYLN-VWOXCGMMSA-N
MW168.28 g/mol
LogP2.17
Rot. Bonds3

About (3Z)-2-methyliminohexa-3,5-dien-1-amine;propane

(3Z)-2-methyliminohexa-3,5-dien-1-amine;propane (PubChem CID 142057531) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (3Z)-2-methyliminohexa-3,5-dien-1-amine;propane.

Molecular Properties

Compound Name(3Z)-2-methyliminohexa-3,5-dien-1-amine;propane
PubChem CID142057531
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(3Z)-2-methyliminohexa-3,5-dien-1-amine;propane
SMILESC=C/C=C\C(CN)=N\C.CCC
InChIInChI=1S/C7H12N2.C3H8/c1-3-4-5-7(6-8)9-2;1-3-2/h3-5H,1,6,8H2,2H3;3H2,1-2H3/b5-4-,9-7-;
InChIKeyBBXVMTAIWBBYLN-VWOXCGMMSA-N
XLogP2.17
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-2-methyliminohexa-3,5-dien-1-amine;propane 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

(Z)-2-ethylimino-5-fluorohex-3-en-1-amine
CID 143075712
(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 144992804
methyl-[(3E,5E)-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium
CID 57895519
2,3-Dihydropyridin-6-ylmethanamine
CID 70426662
(3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine
CID 89313075
(3Z,5Z)-N-methylhepta-3,5-dien-2-imine
CID 89597212
N-methylocta-3,5-dien-2-imine
CID 90686223
2-[2-[7-(aminomethyl)-3-methyl-2H-azepin-4-yl]ethenyl]hex-2-en-1-amine
CID 91290535
2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine
CID 91302499
(2E,5Z)-N-methylocta-2,5,7-trien-4-imine
CID 91455385
(3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine
CID 123206998
(Z)-2-methyliminohex-3-en-1-amine
CID 123256608

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methyliminohexa-3,5-dien-1-amine;propane?
The IUPAC name of (3Z)-2-methyliminohexa-3,5-dien-1-amine;propane (CID 142057531) is (3Z)-2-methyliminohexa-3,5-dien-1-amine;propane.
What is the SMILES notation for (3Z)-2-methyliminohexa-3,5-dien-1-amine;propane?
The canonical SMILES for (3Z)-2-methyliminohexa-3,5-dien-1-amine;propane is C=C/C=C\C(CN)=N\C.CCC.
What is the InChIKey of (3Z)-2-methyliminohexa-3,5-dien-1-amine;propane?
The InChIKey is BBXVMTAIWBBYLN-VWOXCGMMSA-N. The full InChI is InChI=1S/C7H12N2.C3H8/c1-3-4-5-7(6-8)9-2;1-3-2/h3-5H,1,6,8H2,2H3;3H2,1-2H3/b5-4-,9-7-;.
What are the key properties of (3Z)-2-methyliminohexa-3,5-dien-1-amine;propane?
(3Z)-2-methyliminohexa-3,5-dien-1-amine;propane has a molecular weight of 168.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methyliminohexa-3,5-dien-1-amine;propane is sourced from PubChem (CID 142057531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).