N-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine

C15H18N2 — CID 143444944

IUPACN-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine
SMILESC=C/C(N=C)=C(\C=C)N(C)C1=CCC=CC=C1
InChIInChI=1S/C15H18N2/c1-5-14(16-3)15(6-2)17(4)13-11-9-7-8-10-12-13/h5-9,11-12H,1-3,10H2,4H3/b15-14-
InChIKeyUZEKJZNTQCCVLA-PFONDFGASA-N
MW226.32 g/mol
LogP3.60
Rot. Bonds5

About N-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine

N-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine (PubChem CID 143444944) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine
PubChem CID143444944
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine
SMILESC=C/C(N=C)=C(\C=C)N(C)C1=CCC=CC=C1
InChIInChI=1S/C15H18N2/c1-5-14(16-3)15(6-2)17(4)13-11-9-7-8-10-12-13/h5-9,11-12H,1-3,10H2,4H3/b15-14-
InChIKeyUZEKJZNTQCCVLA-PFONDFGASA-N
XLogP3.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
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

(1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine
CID 89245508
N,N-dimethylnona-2,4,6-trien-4-amine
CID 90801555
N,N-dimethylhepta-2,4-dien-3-amine
CID 90860065
(2E,4Z)-N,N-dimethylhepta-2,4-dien-3-amine
CID 117646502
Hepta-3,5-dien-3-yl-methyl-methylideneazanium
CID 123341973
N-octa-2,4,7-trien-3-ylmethanimine
CID 123473345
Cyclohexa-1,5-dien-1-yl-methyl-methylideneazanium
CID 123763898
(3Z)-N-buta-1,3-dien-2-yl-N-methylhepta-1,3-dien-2-amine
CID 126680851
ethyl-[(3Z)-6-methylhepta-1,3-dien-2-yl]-methylideneazanium
CID 129302420
N-methyl-N-propylcyclohepta-1,4,6-trien-1-amine
CID 130192609
N-ethyl-N-[4-(methylideneamino)but-2-ynyl]cyclohepta-1,3,5-trien-1-amine
CID 130450111
(3E,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine
CID 130453012

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine?
The IUPAC name of N-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine (CID 143444944) is N-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for N-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for N-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine is C=C/C(N=C)=C(\C=C)N(C)C1=CCC=CC=C1.
What is the InChIKey of N-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine?
The InChIKey is UZEKJZNTQCCVLA-PFONDFGASA-N. The full InChI is InChI=1S/C15H18N2/c1-5-14(16-3)15(6-2)17(4)13-11-9-7-8-10-12-13/h5-9,11-12H,1-3,10H2,4H3/b15-14-.
What are the key properties of N-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine?
N-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine has a molecular weight of 226.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 143444944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).