(2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine

C14H26N2 — CID 166844209

IUPAC(2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine
SMILESC/C=C\C=C/C(=C/CN)N(CCC)CCC
InChIInChI=1S/C14H26N2/c1-4-7-8-9-14(10-11-15)16(12-5-2)13-6-3/h4,7-10H,5-6,11-13,15H2,1-3H3/b7-4-,9-8-,14-10-
InChIKeyPSBGRRUPNXZZCX-JGLDSLNYSA-N
MW222.38 g/mol
LogP3.08
Rot. Bonds8

About (2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine

(2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine (PubChem CID 166844209) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine.

Molecular Properties

Compound Name(2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine
PubChem CID166844209
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine
SMILESC/C=C\C=C/C(=C/CN)N(CCC)CCC
InChIInChI=1S/C14H26N2/c1-4-7-8-9-14(10-11-15)16(12-5-2)13-6-3/h4,7-10H,5-6,11-13,15H2,1-3H3/b7-4-,9-8-,14-10-
InChIKeyPSBGRRUPNXZZCX-JGLDSLNYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine
CID 170060787
ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene
CID 142050106
3-[(4Z,6Z)-3-methylideneocta-1,4,6-trien-2-yl]-1,1-dipropylthiourea
CID 155053625
(E)-N,N-dipropylbut-2-enamide
CID 21329403
N-(2-aminoethyl)-N-methylhexa-2,4-dienamide
CID 76954139
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate
CID 142861661
(1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine
CID 134987519
(E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide
CID 79667596
2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
CID 54422088
ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine
CID 178019036
(2Z,4E)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylhexa-2,4-dienamide
CID 97449842
2-methylhepta-1,3,5-triene
CID 54571604

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine?
The IUPAC name of (2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine (CID 166844209) is (2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine.
What is the SMILES notation for (2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine?
The canonical SMILES for (2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine is C/C=C\C=C/C(=C/CN)N(CCC)CCC.
What is the InChIKey of (2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine?
The InChIKey is PSBGRRUPNXZZCX-JGLDSLNYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-7-8-9-14(10-11-15)16(12-5-2)13-6-3/h4,7-10H,5-6,11-13,15H2,1-3H3/b7-4-,9-8-,14-10-.
What are the key properties of (2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine?
(2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine has a molecular weight of 222.38 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine is sourced from PubChem (CID 166844209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).