N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine

C14H24N2 — CID 123335275

IUPACN,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine
SMILESC=C(C=C(C)C(=C)N(C)C/C(C)=N/C)CC
InChIInChI=1S/C14H24N2/c1-8-11(2)9-12(3)14(5)16(7)10-13(4)15-6/h9H,2,5,8,10H2,1,3-4,6-7H3/b12-9?,15-13+
InChIKeyRJJWPUDKNMRIPG-GBRAQZIQSA-N
MW220.36 g/mol
LogP3.44
Rot. Bonds6

About N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine

N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine (PubChem CID 123335275) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine
PubChem CID123335275
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine
SMILESC=C(C=C(C)C(=C)N(C)C/C(C)=N/C)CC
InChIInChI=1S/C14H24N2/c1-8-11(2)9-12(3)14(5)16(7)10-13(4)15-6/h9H,2,5,8,10H2,1,3-4,6-7H3/b12-9?,15-13+
InChIKeyRJJWPUDKNMRIPG-GBRAQZIQSA-N
XLogP3.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.44
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

4-diazo-N,N-diethyl-6-methylcyclohexa-1,5-dien-1-amine
CID 54045951
(3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine
CID 88556027
(3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine
CID 88945024
1,3,5-Trimethyl-2-methylidenepyrrol-1-ium
CID 90949451
N-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine
CID 91049889
Methyl-propan-2-ylidene-(3,3,7-trimethylcyclohepta-1,4,6-trien-1-yl)azanium
CID 91118509
N-[(2E)-4-methylocta-2,4-dien-3-yl]propan-2-imine
CID 91370009
(3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine
CID 91426030
(4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine
CID 123197646
6-methyl-1-(6-methyl-2,3-dihydropyridin-5-yl)-2H-pyridine
CID 123200056
3,4-Dimethylhepta-1,3,5-trien-2-yl-ethylidene-methylazanium
CID 123607054
Ethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium
CID 123659364

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine?
The IUPAC name of N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine (CID 123335275) is N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine.
What is the SMILES notation for N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine?
The canonical SMILES for N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine is C=C(C=C(C)C(=C)N(C)C/C(C)=N/C)CC.
What is the InChIKey of N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine?
The InChIKey is RJJWPUDKNMRIPG-GBRAQZIQSA-N. The full InChI is InChI=1S/C14H24N2/c1-8-11(2)9-12(3)14(5)16(7)10-13(4)15-6/h9H,2,5,8,10H2,1,3-4,6-7H3/b12-9?,15-13+.
What are the key properties of N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine?
N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine has a molecular weight of 220.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine is sourced from PubChem (CID 123335275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).