2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine

C12H22N2 — CID 146327140

IUPAC2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine
SMILESC=C/C=C\C(=C)N(C)C(CN)C(C)C
InChIInChI=1S/C12H22N2/c1-6-7-8-11(4)14(5)12(9-13)10(2)3/h6-8,10,12H,1,4,9,13H2,2-3,5H3/b8-7-
InChIKeyMYAMZRPBKMCOGC-FPLPWBNLSA-N
MW194.32 g/mol
LogP2.16
Rot. Bonds6

About 2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine

2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine (PubChem CID 146327140) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine
PubChem CID146327140
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine
SMILESC=C/C=C\C(=C)N(C)C(CN)C(C)C
InChIInChI=1S/C12H22N2/c1-6-7-8-11(4)14(5)12(9-13)10(2)3/h6-8,10,12H,1,4,9,13H2,2-3,5H3/b8-7-
InChIKeyMYAMZRPBKMCOGC-FPLPWBNLSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine with MolForge

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Related Compounds

(1-Amino-3-methylbutan-2-yl)bis(prop-2-en-1-yl)amine
CID 43810483
N'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine
CID 166785642
(3Z,5E)-7-fluoro-5-N-methyl-2-N-(2-methylbutyl)hepta-1,3,5-triene-2,5-diamine
CID 142931699
(2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine
CID 89199351
N,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine
CID 91367445
2-N-butyl-2-N-ethylcyclohepta-2,3,5,7-tetraene-1,2-diamine
CID 123655324
N'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 130296023
N,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine
CID 130424148
(2E,4E,6Z)-5-N-butyl-5-N-ethylocta-2,4,6-triene-1,5-diamine
CID 130450116
(1Z,3Z)-N'-[2-(cyclopropylmethylamino)propyl]penta-1,3-diene-1,5-diamine
CID 132109317
(2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N,5-N,2-trimethylhexa-2,4-diene-1,5-diamine
CID 134406193
(2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine
CID 134406221

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine (CID 146327140) is 2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine is C=C/C=C\C(=C)N(C)C(CN)C(C)C.
What is the InChIKey of 2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine?
The InChIKey is MYAMZRPBKMCOGC-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-7-8-11(4)14(5)12(9-13)10(2)3/h6-8,10,12H,1,4,9,13H2,2-3,5H3/b8-7-.
What are the key properties of 2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine?
2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine has a molecular weight of 194.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 146327140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).