N,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine

C21H46N2 — CID 142233777

IUPACN,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine
SMILESC=C/C(C)=C(\C=C)CC(C)NC.CC.CC.CCC(C)CNC
InChIInChI=1S/C11H19N.C6H15N.2C2H6/c1-6-9(3)11(7-2)8-10(4)12-5;1-4-6(2)5-7-3;2*1-2/h6-7,10,12H,1-2,8H2,3-5H3;6-7H,4-5H2,1-3H3;2*1-2H3/b11-9+;;;
InChIKeyNHPQZOKKSQMESN-OOQPXJNPSA-N
MW326.61 g/mol
LogP5.98
Rot. Bonds8

About N,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine

N,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine (PubChem CID 142233777) has the molecular formula C21H46N2 and a molecular weight of 326.61 g/mol. Its IUPAC name is N,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine.

Molecular Properties

Compound NameN,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine
PubChem CID142233777
Molecular FormulaC21H46N2
Molecular Weight326.61 g/mol
Exact Mass326.37
IUPAC NameN,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine
SMILESC=C/C(C)=C(\C=C)CC(C)NC.CC.CC.CCC(C)CNC
InChIInChI=1S/C11H19N.C6H15N.2C2H6/c1-6-9(3)11(7-2)8-10(4)12-5;1-4-6(2)5-7-3;2*1-2/h6-7,10,12H,1-2,8H2,3-5H3;6-7H,4-5H2,1-3H3;2*1-2H3/b11-9+;;;
InChIKeyNHPQZOKKSQMESN-OOQPXJNPSA-N
XLogP5.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine with MolForge

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Related Compounds

(3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene
CID 142238134
ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene
CID 156818429
(2R)-2-N-ethenyl-1-N-methylpropane-1,2-diamine
CID 163535378
(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol
CID 143045895
N,3-dimethylpentan-1-amine;prop-1-ene
CID 171815498
N,4,6-trimethylhept-6-en-2-amine
CID 79186326
(3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine
CID 174193484
4-methyl-5-(methylamino)pentan-2-one
CID 20632141
(1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine
CID 166854206
(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine
CID 142018052
N,2,6-trimethylhept-6-en-1-amine
CID 114477309
(2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine
CID 178044183

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine?
The IUPAC name of N,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine (CID 142233777) is N,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine.
What is the SMILES notation for N,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine?
The canonical SMILES for N,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine is C=C/C(C)=C(\C=C)CC(C)NC.CC.CC.CCC(C)CNC.
What is the InChIKey of N,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine?
The InChIKey is NHPQZOKKSQMESN-OOQPXJNPSA-N. The full InChI is InChI=1S/C11H19N.C6H15N.2C2H6/c1-6-9(3)11(7-2)8-10(4)12-5;1-4-6(2)5-7-3;2*1-2/h6-7,10,12H,1-2,8H2,3-5H3;6-7H,4-5H2,1-3H3;2*1-2H3/b11-9+;;;.
What are the key properties of N,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine?
N,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine has a molecular weight of 326.61 g/mol, XLogP of 5.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine is sourced from PubChem (CID 142233777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).