(2Z,4Z)-3-tert-butyl-N,4-dimethylnona-2,4-dien-5-amine

C15H29N — CID 129131546

IUPAC(2Z,4Z)-3-tert-butyl-N,4-dimethylnona-2,4-dien-5-amine
SMILESC/C=C(C(\C)=C(\CCCC)NC)/C(C)(C)C
InChIInChI=1S/C15H29N/c1-8-10-11-14(16-7)12(3)13(9-2)15(4,5)6/h9,16H,8,10-11H2,1-7H3/b13-9+,14-12-
InChIKeyAOQJXPUEVJGICV-CPUWGDESSA-N
MW223.40 g/mol
LogP4.66
Rot. Bonds5

About (2Z,4Z)-3-tert-butyl-N,4-dimethylnona-2,4-dien-5-amine

(2Z,4Z)-3-tert-butyl-N,4-dimethylnona-2,4-dien-5-amine (PubChem CID 129131546) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (2Z,4Z)-3-tert-butyl-N,4-dimethylnona-2,4-dien-5-amine.

Molecular Properties

Compound Name(2Z,4Z)-3-tert-butyl-N,4-dimethylnona-2,4-dien-5-amine
PubChem CID129131546
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(2Z,4Z)-3-tert-butyl-N,4-dimethylnona-2,4-dien-5-amine
SMILESC/C=C(C(\C)=C(\CCCC)NC)/C(C)(C)C
InChIInChI=1S/C15H29N/c1-8-10-11-14(16-7)12(3)13(9-2)15(4,5)6/h9,16H,8,10-11H2,1-7H3/b13-9+,14-12-
InChIKeyAOQJXPUEVJGICV-CPUWGDESSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(methylamino)oct-2-enoic acid
CID 173326648
(2Z,4E,5Z)-6-ethyl-4-ethylidene-N,5-dimethyldeca-2,5-dien-2-amine
CID 126728200
(Z)-3-methyl-4-methylideneoct-2-ene
CID 121232770
4-tert-butyloct-3-ene
CID 123879820
hexan-2-one;2,2,4,4-tetramethylpentan-3-one
CID 87147790
acetaldehyde;N-methylacetamide;pentadecane
CID 90894756
(Z)-N-butyl-4,4-dimethylpent-2-en-3-amine
CID 143683081
2-methyl-2-(methylamino)heptan-3-one
CID 116566324
3-methyl-5-methylidenenon-2-ene
CID 86209707
2-methyl-1-(methylamino)hept-1-en-3-one
CID 71321613
(2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine
CID 167200001
(Z)-N-methylhept-2-en-2-amine
CID 90448408

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-tert-butyl-N,4-dimethylnona-2,4-dien-5-amine?
The IUPAC name of (2Z,4Z)-3-tert-butyl-N,4-dimethylnona-2,4-dien-5-amine (CID 129131546) is (2Z,4Z)-3-tert-butyl-N,4-dimethylnona-2,4-dien-5-amine.
What is the SMILES notation for (2Z,4Z)-3-tert-butyl-N,4-dimethylnona-2,4-dien-5-amine?
The canonical SMILES for (2Z,4Z)-3-tert-butyl-N,4-dimethylnona-2,4-dien-5-amine is C/C=C(C(\C)=C(\CCCC)NC)/C(C)(C)C.
What is the InChIKey of (2Z,4Z)-3-tert-butyl-N,4-dimethylnona-2,4-dien-5-amine?
The InChIKey is AOQJXPUEVJGICV-CPUWGDESSA-N. The full InChI is InChI=1S/C15H29N/c1-8-10-11-14(16-7)12(3)13(9-2)15(4,5)6/h9,16H,8,10-11H2,1-7H3/b13-9+,14-12-.
What are the key properties of (2Z,4Z)-3-tert-butyl-N,4-dimethylnona-2,4-dien-5-amine?
(2Z,4Z)-3-tert-butyl-N,4-dimethylnona-2,4-dien-5-amine has a molecular weight of 223.40 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-tert-butyl-N,4-dimethylnona-2,4-dien-5-amine is sourced from PubChem (CID 129131546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).