(3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine

C14H27N3 — CID 143585667

IUPAC(3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine
SMILESC=C(N)/C=C\C(=C)N(C)CCN(C)C(C)(C)C
InChIInChI=1S/C14H27N3/c1-12(15)8-9-13(2)16(6)10-11-17(7)14(3,4)5/h8-9H,1-2,10-11,15H2,3-7H3/b9-8-
InChIKeyQGYRYRBQUAUWHP-HJWRWDBZSA-N
MW237.39 g/mol
LogP2.19
Rot. Bonds6

About (3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine

(3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine (PubChem CID 143585667) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine.

Molecular Properties

Compound Name(3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine
PubChem CID143585667
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine
SMILESC=C(N)/C=C\C(=C)N(C)CCN(C)C(C)(C)C
InChIInChI=1S/C14H27N3/c1-12(15)8-9-13(2)16(6)10-11-17(7)14(3,4)5/h8-9H,1-2,10-11,15H2,3-7H3/b9-8-
InChIKeyQGYRYRBQUAUWHP-HJWRWDBZSA-N
XLogP2.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine with MolForge

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Related Compounds

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2-(6-methyl-2H-pyridin-1-yl)ethanamine
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CID 20773186
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazine
CID 88286852
1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine
CID 88756017
(3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-amine
CID 89062309
(2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine
CID 89062410
N-buta-1,3-dien-2-yl-N',N'-diethylethane-1,2-diamine
CID 89233222
(2E,4E,6Z)-5-N,5-N-dimethylocta-2,4,6-triene-2,5-diamine
CID 89293408
(2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine
CID 89339501

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine?
The IUPAC name of (3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine (CID 143585667) is (3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine.
What is the SMILES notation for (3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine?
The canonical SMILES for (3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine is C=C(N)/C=C\C(=C)N(C)CCN(C)C(C)(C)C.
What is the InChIKey of (3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine?
The InChIKey is QGYRYRBQUAUWHP-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H27N3/c1-12(15)8-9-13(2)16(6)10-11-17(7)14(3,4)5/h8-9H,1-2,10-11,15H2,3-7H3/b9-8-.
What are the key properties of (3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine?
(3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine has a molecular weight of 237.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-N-[2-[tert-butyl(methyl)amino]ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine is sourced from PubChem (CID 143585667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).