(10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine

C19H31N — CID 59958461

IUPAC(10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine
SMILESC/C=C(/C)C=C(C)C(C)=C(C)C(C)=C(C)C=C(C)NC
InChIInChI=1S/C19H31N/c1-10-13(2)11-14(3)17(6)19(8)18(7)15(4)12-16(5)20-9/h10-12,20H,1-9H3/b13-10-,14-11?,16-12?,18-15?,19-17?
InChIKeyNCNVKVMLBHJSOD-BKIHKSGCSA-N
MW273.46 g/mol
LogP5.69
Rot. Bonds5

About (10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine

(10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine (PubChem CID 59958461) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is (10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine.

Molecular Properties

Compound Name(10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine
PubChem CID59958461
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name(10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine
SMILESC/C=C(/C)C=C(C)C(C)=C(C)C(C)=C(C)C=C(C)NC
InChIInChI=1S/C19H31N/c1-10-13(2)11-14(3)17(6)19(8)18(7)15(4)12-16(5)20-9/h10-12,20H,1-9H3/b13-10-,14-11?,16-12?,18-15?,19-17?
InChIKeyNCNVKVMLBHJSOD-BKIHKSGCSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine with MolForge

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Related Compounds

2,3-Dimethyl-1,4-Azepin
CID 21560535
(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
CID 134291684
(2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine
CID 134365643
(3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine
CID 139402965
(3E)-3-fluoro-5-methyl-N-(3-methylbut-2-enyl)hexa-1,3,5-trien-2-amine
CID 142089087
(2Z,4Z,6Z)-N-methyl-4-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)octa-2,4,6-trien-2-amine
CID 145681308
(2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine
CID 146499180
(3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine
CID 146521727
(2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine
CID 146577737
(2E,4E,6E)-3-fluoro-N,4,5-trimethylocta-2,4,6-trien-2-amine
CID 156093080
(2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine
CID 166888940
(3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine
CID 166907432

Frequently Asked Questions

What is the IUPAC name of (10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine?
The IUPAC name of (10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine (CID 59958461) is (10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine.
What is the SMILES notation for (10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine?
The canonical SMILES for (10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine is C/C=C(/C)C=C(C)C(C)=C(C)C(C)=C(C)C=C(C)NC.
What is the InChIKey of (10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine?
The InChIKey is NCNVKVMLBHJSOD-BKIHKSGCSA-N. The full InChI is InChI=1S/C19H31N/c1-10-13(2)11-14(3)17(6)19(8)18(7)15(4)12-16(5)20-9/h10-12,20H,1-9H3/b13-10-,14-11?,16-12?,18-15?,19-17?.
What are the key properties of (10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine?
(10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine has a molecular weight of 273.46 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-N,4,5,6,7,8,10-heptamethyldodeca-2,4,6,8,10-pentaen-2-amine is sourced from PubChem (CID 59958461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).