(3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine

C12H20N2 — CID 178050407

IUPAC(3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(\C=C/C)C(=N/C)/C(C)C
InChIInChI=1S/C12H20N2/c1-6-8-10(11(13)7-2)12(14-5)9(3)4/h6-9H,2,13H2,1,3-5H3/b8-6-,11-10-,14-12+
InChIKeyDMGVSELVXNEIHR-NEPWTDQSSA-N
MW192.31 g/mol
LogP2.69
Rot. Bonds4

About (3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine

(3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine (PubChem CID 178050407) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine
PubChem CID178050407
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(\C=C/C)C(=N/C)/C(C)C
InChIInChI=1S/C12H20N2/c1-6-8-10(11(13)7-2)12(14-5)9(3)4/h6-9H,2,13H2,1,3-5H3/b8-6-,11-10-,14-12+
InChIKeyDMGVSELVXNEIHR-NEPWTDQSSA-N
XLogP2.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.69
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'}

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Related Compounds

(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
CID 155176361
(2Z)-3-amino-N'-[amino(2-hydroxyethyl)amino]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
CID 142467987
(4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane
CID 143773644
(2Z,4E,6Z)-5-ethenylocta-2,4,6-trien-4-amine
CID 170027215
(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
CID 142139467
2,4-dimethyl-3-methyliminopent-1-en-1-amine
CID 174306198
(3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine
CID 134224473
(E)-N,5-dimethyl-4-methyliminohex-2-en-3-amine
CID 166983864
(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
CID 166107909
(7E,9Z)-8-amino-7-ethenyl-2-methylundeca-7,9-dien-3-one;ethane
CID 163241807
(3E,5Z,7Z)-6-methylnona-1,3,5,7-tetraen-3-amine
CID 143332399
(3E,5Z)-3-methyl-4-(3-methylbuta-1,3-dien-2-yl)hepta-1,3,5-triene
CID 143168001

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine?
The IUPAC name of (3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine (CID 178050407) is (3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine?
The canonical SMILES for (3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine is C=C/C(N)=C(\C=C/C)C(=N/C)/C(C)C.
What is the InChIKey of (3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine?
The InChIKey is DMGVSELVXNEIHR-NEPWTDQSSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-8-10(11(13)7-2)12(14-5)9(3)4/h6-9H,2,13H2,1,3-5H3/b8-6-,11-10-,14-12+.
What are the key properties of (3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine?
(3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine has a molecular weight of 192.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine is sourced from PubChem (CID 178050407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).