(2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine

C18H33N — CID 170060787

IUPAC(2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine
SMILESC/C=C(\C=C/C=C\CC)N(CCC)CCCCCC
InChIInChI=1S/C18H33N/c1-5-9-11-13-15-18(8-4)19(16-7-3)17-14-12-10-6-2/h8-9,11,13,15H,5-7,10,12,14,16-17H2,1-4H3/b11-9-,15-13-,18-8+
InChIKeyISCYFOXATZEWHN-BRNGWXDHSA-N
MW263.47 g/mol
LogP5.70
Rot. Bonds11

About (2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine

(2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine (PubChem CID 170060787) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is (2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine
PubChem CID170060787
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name(2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine
SMILESC/C=C(\C=C/C=C\CC)N(CCC)CCCCCC
InChIInChI=1S/C18H33N/c1-5-9-11-13-15-18(8-4)19(16-7-3)17-14-12-10-6-2/h8-9,11,13,15H,5-7,10,12,14,16-17H2,1-4H3/b11-9-,15-13-,18-8+
InChIKeyISCYFOXATZEWHN-BRNGWXDHSA-N
XLogP5.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine
CID 166844209
(E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine
CID 146245891
(E)-N,N,N',N'-tetrahexylbut-2-enediamide
CID 91739801
CID 22164562
CID 22164562
2-[2-[2-(didodecylamino)-2-sulfanylideneethoxy]ethoxy]-N,N-didodecylethanethioamide
CID 3511508
hexakis(N,N-dihexylcarbamodithioate);molybdenum
CID 18926193
tetrakis(N-dodecyl-N-hexadecylcarbamodithioate);molybdenum(4+)
CID 141332595
sodium N,N-dihexylcarbamodithioate
CID 23671974
di(hexacosyl)carbamodithioic acid
CID 154512280
tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)
CID 139855060
molybdenum;octadecyl(octyl)carbamothioic O-acid
CID 175434115
N,N-dibutylpent-2-enamide
CID 154390041

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine (CID 170060787) is (2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine is C/C=C(\C=C/C=C\CC)N(CCC)CCCCCC.
What is the InChIKey of (2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine?
The InChIKey is ISCYFOXATZEWHN-BRNGWXDHSA-N. The full InChI is InChI=1S/C18H33N/c1-5-9-11-13-15-18(8-4)19(16-7-3)17-14-12-10-6-2/h8-9,11,13,15H,5-7,10,12,14,16-17H2,1-4H3/b11-9-,15-13-,18-8+.
What are the key properties of (2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine?
(2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine has a molecular weight of 263.47 g/mol, XLogP of 5.70, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine is sourced from PubChem (CID 170060787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).