(1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine

C12H21N — CID 166970711

IUPAC(1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine
SMILESC=C(C)/C=C(C)\C=C/NCC(C)C
InChIInChI=1S/C12H21N/c1-10(2)8-12(5)6-7-13-9-11(3)4/h6-8,11,13H,1,9H2,2-5H3/b7-6-,12-8-
InChIKeyRHWXDQJHAZSSGU-IJDSZTBYSA-N
MW179.31 g/mol
LogP3.27
Rot. Bonds5

About (1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine

(1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine (PubChem CID 166970711) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine
PubChem CID166970711
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine
SMILESC=C(C)/C=C(C)\C=C/NCC(C)C
InChIInChI=1S/C12H21N/c1-10(2)8-12(5)6-7-13-9-11(3)4/h6-8,11,13H,1,9H2,2-5H3/b7-6-,12-8-
InChIKeyRHWXDQJHAZSSGU-IJDSZTBYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine (CID 166970711) is (1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine is C=C(C)/C=C(C)\C=C/NCC(C)C.
What is the InChIKey of (1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine?
The InChIKey is RHWXDQJHAZSSGU-IJDSZTBYSA-N. The full InChI is InChI=1S/C12H21N/c1-10(2)8-12(5)6-7-13-9-11(3)4/h6-8,11,13H,1,9H2,2-5H3/b7-6-,12-8-.
What are the key properties of (1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine?
(1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 166970711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).