(5E)-2-N,7-N,3,5,6-pentamethyl-4-methyliminoocta-2,5-diene-2,7-diamine

C14H27N3 — CID 174028094

IUPAC(5E)-2-N,7-N,3,5,6-pentamethyl-4-methyliminoocta-2,5-diene-2,7-diamine
SMILESC/N=C(C(C)=C(C)NC)/C(C)=C(\C)C(C)NC
InChIInChI=1S/C14H27N3/c1-9(12(4)15-6)10(2)14(17-8)11(3)13(5)16-7/h12,15-16H,1-8H3/b10-9+,13-11?,17-14-
InChIKeyJAZSALSMSQJNOP-QEFURWKDSA-N
MW237.39 g/mol
LogP2.51
Rot. Bonds5

About (5E)-2-N,7-N,3,5,6-pentamethyl-4-methyliminoocta-2,5-diene-2,7-diamine

(5E)-2-N,7-N,3,5,6-pentamethyl-4-methyliminoocta-2,5-diene-2,7-diamine (PubChem CID 174028094) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (5E)-2-N,7-N,3,5,6-pentamethyl-4-methyliminoocta-2,5-diene-2,7-diamine.

Molecular Properties

Compound Name(5E)-2-N,7-N,3,5,6-pentamethyl-4-methyliminoocta-2,5-diene-2,7-diamine
PubChem CID174028094
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(5E)-2-N,7-N,3,5,6-pentamethyl-4-methyliminoocta-2,5-diene-2,7-diamine
SMILESC/N=C(C(C)=C(C)NC)/C(C)=C(\C)C(C)NC
InChIInChI=1S/C14H27N3/c1-9(12(4)15-6)10(2)14(17-8)11(3)13(5)16-7/h12,15-16H,1-8H3/b10-9+,13-11?,17-14-
InChIKeyJAZSALSMSQJNOP-QEFURWKDSA-N
XLogP2.51
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-N,7-N,3,5,6-pentamethyl-4-methyliminoocta-2,5-diene-2,7-diamine?
The IUPAC name of (5E)-2-N,7-N,3,5,6-pentamethyl-4-methyliminoocta-2,5-diene-2,7-diamine (CID 174028094) is (5E)-2-N,7-N,3,5,6-pentamethyl-4-methyliminoocta-2,5-diene-2,7-diamine.
What is the SMILES notation for (5E)-2-N,7-N,3,5,6-pentamethyl-4-methyliminoocta-2,5-diene-2,7-diamine?
The canonical SMILES for (5E)-2-N,7-N,3,5,6-pentamethyl-4-methyliminoocta-2,5-diene-2,7-diamine is C/N=C(C(C)=C(C)NC)/C(C)=C(\C)C(C)NC.
What is the InChIKey of (5E)-2-N,7-N,3,5,6-pentamethyl-4-methyliminoocta-2,5-diene-2,7-diamine?
The InChIKey is JAZSALSMSQJNOP-QEFURWKDSA-N. The full InChI is InChI=1S/C14H27N3/c1-9(12(4)15-6)10(2)14(17-8)11(3)13(5)16-7/h12,15-16H,1-8H3/b10-9+,13-11?,17-14-.
What are the key properties of (5E)-2-N,7-N,3,5,6-pentamethyl-4-methyliminoocta-2,5-diene-2,7-diamine?
(5E)-2-N,7-N,3,5,6-pentamethyl-4-methyliminoocta-2,5-diene-2,7-diamine has a molecular weight of 237.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-N,7-N,3,5,6-pentamethyl-4-methyliminoocta-2,5-diene-2,7-diamine is sourced from PubChem (CID 174028094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).