(2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine

C17H31N — CID 170706540

IUPAC(2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine
SMILESC=C(C)/C=C\C(C)=C(/C)CN(C)C(CC)CCC
InChIInChI=1S/C17H31N/c1-8-10-17(9-2)18(7)13-16(6)15(5)12-11-14(3)4/h11-12,17H,3,8-10,13H2,1-2,4-7H3/b12-11-,16-15+
InChIKeyRPRUUNVUUBHRNC-YOPQAMBCSA-N
MW249.44 g/mol
LogP4.97
Rot. Bonds8

About (2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine

(2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine (PubChem CID 170706540) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine
PubChem CID170706540
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine
SMILESC=C(C)/C=C\C(C)=C(/C)CN(C)C(CC)CCC
InChIInChI=1S/C17H31N/c1-8-10-17(9-2)18(7)13-16(6)15(5)12-11-14(3)4/h11-12,17H,3,8-10,13H2,1-2,4-7H3/b12-11-,16-15+
InChIKeyRPRUUNVUUBHRNC-YOPQAMBCSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol
CID 162730779
methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate
CID 90862212
(2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine
CID 155001648
(1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine
CID 146174461
ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine
CID 145230343
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
[hexan-3-yl(methyl)amino]methanesulfonic acid
CID 89376589
(3Z)-N,N,5-trimethyl-2-methylidenehexa-3,5-dien-1-amine
CID 142124132
2-[hexan-3-yl(methyl)amino]ethanesulfonic acid
CID 142409189
ethanethiol;ethene;formaldehyde;N-hexan-3-yl-N-methylacetamide
CID 143678118
N-icosan-3-yl-N-methylhydroxylamine
CID 90035828
N-methyl-N-octadecan-3-ylhydroxylamine
CID 90035792

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine (CID 170706540) is (2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine is C=C(C)/C=C\C(C)=C(/C)CN(C)C(CC)CCC.
What is the InChIKey of (2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine?
The InChIKey is RPRUUNVUUBHRNC-YOPQAMBCSA-N. The full InChI is InChI=1S/C17H31N/c1-8-10-17(9-2)18(7)13-16(6)15(5)12-11-14(3)4/h11-12,17H,3,8-10,13H2,1-2,4-7H3/b12-11-,16-15+.
What are the key properties of (2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine?
(2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 170706540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).