(1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine

C15H26N4 — CID 166539018

IUPAC(1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine
SMILES[H]/N=C/C=N/C(=C\C=C\N=C)N(CCCC)CC(C)C
InChIInChI=1S/C15H26N4/c1-5-6-12-19(13-14(2)3)15(18-11-9-16)8-7-10-17-4/h7-11,14,16H,4-6,12-13H2,1-3H3/b10-7+,15-8+,16-9+,18-11+
InChIKeyQMAGYPBDHMWFGZ-DKNLOTIKSA-N
MW262.40 g/mol
LogP3.52
Rot. Bonds10

About (1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine

(1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine (PubChem CID 166539018) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is (1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine
PubChem CID166539018
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name(1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine
SMILES[H]/N=C/C=N/C(=C\C=C\N=C)N(CCCC)CC(C)C
InChIInChI=1S/C15H26N4/c1-5-6-12-19(13-14(2)3)15(18-11-9-16)8-7-10-17-4/h7-11,14,16H,4-6,12-13H2,1-3H3/b10-7+,15-8+,16-9+,18-11+
InChIKeyQMAGYPBDHMWFGZ-DKNLOTIKSA-N
XLogP3.52
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

butyl(2-methylpropyl)carbamothioic S-acid
CID 88753781
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N-pentylideneethanimidamide
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methyl N-butyl-N-(2-methylpropyl)carbamate
CID 170640282
(E)-3-propan-2-yloct-2-en-1-imine
CID 166687448
(Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine
CID 90453488
3-butyl-4-methylhepta-2,6-dien-1-imine
CID 123647408
1-butyl-1-ethyl-3-(2-methylpropyl)thiourea
CID 115570265
N-butyl-N-(2-chloroethyl)-3-methylbutanamide
CID 63390877
N'-(4-methylhexyl)ethane-1,2-diimine
CID 174359205
Bis(dibutyldithiocarbamato-S,S')copper
CID 156614044
1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride
CID 3040181

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine (CID 166539018) is (1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine is [H]/N=C/C=N/C(=C\C=C\N=C)N(CCCC)CC(C)C.
What is the InChIKey of (1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine?
The InChIKey is QMAGYPBDHMWFGZ-DKNLOTIKSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-6-12-19(13-14(2)3)15(18-11-9-16)8-7-10-17-4/h7-11,14,16H,4-6,12-13H2,1-3H3/b10-7+,15-8+,16-9+,18-11+.
What are the key properties of (1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine?
(1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 166539018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).