(3Z,5Z)-7-chloro-2,2,6-trimethyl-5-propan-2-ylnona-3,5-dien-3-amine

C15H28ClN — CID 135291363

IUPAC(3Z,5Z)-7-chloro-2,2,6-trimethyl-5-propan-2-ylnona-3,5-dien-3-amine
SMILESCCC(Cl)/C(C)=C(\C=C(/N)C(C)(C)C)C(C)C
InChIInChI=1S/C15H28ClN/c1-8-13(16)11(4)12(10(2)3)9-14(17)15(5,6)7/h9-10,13H,8,17H2,1-7H3/b12-11+,14-9-
InChIKeySFAZVTSHWKJGHG-BVIMHVQXSA-N
MW257.85 g/mol
LogP4.86
Rot. Bonds4

About (3Z,5Z)-7-chloro-2,2,6-trimethyl-5-propan-2-ylnona-3,5-dien-3-amine

(3Z,5Z)-7-chloro-2,2,6-trimethyl-5-propan-2-ylnona-3,5-dien-3-amine (PubChem CID 135291363) has the molecular formula C15H28ClN and a molecular weight of 257.85 g/mol. Its IUPAC name is (3Z,5Z)-7-chloro-2,2,6-trimethyl-5-propan-2-ylnona-3,5-dien-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-7-chloro-2,2,6-trimethyl-5-propan-2-ylnona-3,5-dien-3-amine
PubChem CID135291363
Molecular FormulaC15H28ClN
Molecular Weight257.85 g/mol
Exact Mass257.19
IUPAC Name(3Z,5Z)-7-chloro-2,2,6-trimethyl-5-propan-2-ylnona-3,5-dien-3-amine
SMILESCCC(Cl)/C(C)=C(\C=C(/N)C(C)(C)C)C(C)C
InChIInChI=1S/C15H28ClN/c1-8-13(16)11(4)12(10(2)3)9-14(17)15(5,6)7/h9-10,13H,8,17H2,1-7H3/b12-11+,14-9-
InChIKeySFAZVTSHWKJGHG-BVIMHVQXSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.85
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-amino-5,5-dimethylhex-3-en-2-one
CID 15421497
3-amino-4,4-dimethylpent-2-enamide
CID 143267378
ethane;2-methylbutane;prop-1-en-2-amine
CID 144735709
acetyl 3-chloro-2-oxopentanoate
CID 175241651
(Z)-7-ethyl-2,2-dimethyldec-3-en-3-amine
CID 166922299
3,3-dimethylbutan-2-one;2-methylbutane
CID 91459434
(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine
CID 153372137
benzene;4-chlorohexane-2,3-dione
CID 175219407
(2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol
CID 143347257
N-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide
CID 171645597
(3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine
CID 145244449
3-chloro-2-oxopentanoic acid
CID 87224435

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-chloro-2,2,6-trimethyl-5-propan-2-ylnona-3,5-dien-3-amine?
The IUPAC name of (3Z,5Z)-7-chloro-2,2,6-trimethyl-5-propan-2-ylnona-3,5-dien-3-amine (CID 135291363) is (3Z,5Z)-7-chloro-2,2,6-trimethyl-5-propan-2-ylnona-3,5-dien-3-amine.
What is the SMILES notation for (3Z,5Z)-7-chloro-2,2,6-trimethyl-5-propan-2-ylnona-3,5-dien-3-amine?
The canonical SMILES for (3Z,5Z)-7-chloro-2,2,6-trimethyl-5-propan-2-ylnona-3,5-dien-3-amine is CCC(Cl)/C(C)=C(\C=C(/N)C(C)(C)C)C(C)C.
What is the InChIKey of (3Z,5Z)-7-chloro-2,2,6-trimethyl-5-propan-2-ylnona-3,5-dien-3-amine?
The InChIKey is SFAZVTSHWKJGHG-BVIMHVQXSA-N. The full InChI is InChI=1S/C15H28ClN/c1-8-13(16)11(4)12(10(2)3)9-14(17)15(5,6)7/h9-10,13H,8,17H2,1-7H3/b12-11+,14-9-.
What are the key properties of (3Z,5Z)-7-chloro-2,2,6-trimethyl-5-propan-2-ylnona-3,5-dien-3-amine?
(3Z,5Z)-7-chloro-2,2,6-trimethyl-5-propan-2-ylnona-3,5-dien-3-amine has a molecular weight of 257.85 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-chloro-2,2,6-trimethyl-5-propan-2-ylnona-3,5-dien-3-amine is sourced from PubChem (CID 135291363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).