(1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine

C14H27N3 — CID 134406414

IUPAC(1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine
SMILESCC1CCCN(/C(N)=C/C=C(\N)C(C)(C)C)C1
InChIInChI=1S/C14H27N3/c1-11-6-5-9-17(10-11)13(16)8-7-12(15)14(2,3)4/h7-8,11H,5-6,9-10,15-16H2,1-4H3/b12-7-,13-8+
InChIKeyCICZSCAUCIPVLA-HAKHBUOSSA-N
MW237.39 g/mol
LogP2.41
Rot. Bonds2

About (1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine

(1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine (PubChem CID 134406414) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine
PubChem CID134406414
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine
SMILESCC1CCCN(/C(N)=C/C=C(\N)C(C)(C)C)C1
InChIInChI=1S/C14H27N3/c1-11-6-5-9-17(10-11)13(16)8-7-12(15)14(2,3)4/h7-8,11H,5-6,9-10,15-16H2,1-4H3/b12-7-,13-8+
InChIKeyCICZSCAUCIPVLA-HAKHBUOSSA-N
XLogP2.41
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine (CID 134406414) is (1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine is CC1CCCN(/C(N)=C/C=C(\N)C(C)(C)C)C1.
What is the InChIKey of (1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine?
The InChIKey is CICZSCAUCIPVLA-HAKHBUOSSA-N. The full InChI is InChI=1S/C14H27N3/c1-11-6-5-9-17(10-11)13(16)8-7-12(15)14(2,3)4/h7-8,11H,5-6,9-10,15-16H2,1-4H3/b12-7-,13-8+.
What are the key properties of (1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine?
(1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine has a molecular weight of 237.39 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine is sourced from PubChem (CID 134406414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).