N-methyl-N-[(E)-[(3E,5E)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine

C12H20N2 — CID 14249730

IUPACN-methyl-N-[(E)-[(3E,5E)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine
SMILESC=CCC(/C=C/C=C/C)/C=N/N(C)C
InChIInChI=1S/C12H20N2/c1-5-7-8-10-12(9-6-2)11-13-14(3)4/h5-8,10-12H,2,9H2,1,3-4H3/b7-5+,10-8+,13-11+
InChIKeyKAOOVKLXOKSYFL-ISUFOVMRSA-N
MW192.31 g/mol
LogP2.86
Rot. Bonds6

About N-methyl-N-[(E)-[(3E,5E)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine

N-methyl-N-[(E)-[(3E,5E)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine (PubChem CID 14249730) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-methyl-N-[(E)-[(3E,5E)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-[(3E,5E)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine
PubChem CID14249730
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-methyl-N-[(E)-[(3E,5E)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine
SMILESC=CCC(/C=C/C=C/C)/C=N/N(C)C
InChIInChI=1S/C12H20N2/c1-5-7-8-10-12(9-6-2)11-13-14(3)4/h5-8,10-12H,2,9H2,1,3-4H3/b7-5+,10-8+,13-11+
InChIKeyKAOOVKLXOKSYFL-ISUFOVMRSA-N
XLogP2.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-N-methylmethanamine
CID 5776914
2-Isopropenyl-5-methyl-4-hexenal dimethylhydrazone
CID 73102555
Ethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium
CID 123231309
N-amino-N-[(E)-cyclohexa-2,4-dien-1-ylmethylideneamino]methanamine
CID 138617972
N-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine
CID 139521870
N-[(Z)-[(4Z)-2,5-dimethylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine
CID 139522245
5-methylcyclohexa-1,3-diene;N-methylpropan-1-imine
CID 142077108
4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4H-pyrazole
CID 142206572
N-(cyclohex-2-en-1-ylmethylideneamino)-N-methylmethanamine
CID 155460005
ethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine
CID 163375989
(3E)-N-methyl-4-propan-2-ylhexa-3,5-dien-1-imine
CID 167114037
N-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine
CID 174070423

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[(3E,5E)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine?
The IUPAC name of N-methyl-N-[(E)-[(3E,5E)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine (CID 14249730) is N-methyl-N-[(E)-[(3E,5E)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-[(3E,5E)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-[(3E,5E)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine is C=CCC(/C=C/C=C/C)/C=N/N(C)C.
What is the InChIKey of N-methyl-N-[(E)-[(3E,5E)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine?
The InChIKey is KAOOVKLXOKSYFL-ISUFOVMRSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-7-8-10-12(9-6-2)11-13-14(3)4/h5-8,10-12H,2,9H2,1,3-4H3/b7-5+,10-8+,13-11+.
What are the key properties of N-methyl-N-[(E)-[(3E,5E)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine?
N-methyl-N-[(E)-[(3E,5E)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine has a molecular weight of 192.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[(3E,5E)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine is sourced from PubChem (CID 14249730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).