N-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine

C18H38N2 — CID 22637299

IUPACN-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)=NNC(CC(C)C)CC(C)C
InChIInChI=1S/C18H38N2/c1-13(2)9-17(10-14(3)4)19-20-18(11-15(5)6)12-16(7)8/h13-17,19H,9-12H2,1-8H3
InChIKeyMYDNWDAOJQIUCH-UHFFFAOYSA-N
MW282.52 g/mol
LogP5.49
Rot. Bonds10

About N-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine

N-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine (PubChem CID 22637299) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine
PubChem CID22637299
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)=NNC(CC(C)C)CC(C)C
InChIInChI=1S/C18H38N2/c1-13(2)9-17(10-14(3)4)19-20-18(11-15(5)6)12-16(7)8/h13-17,19H,9-12H2,1-8H3
InChIKeyMYDNWDAOJQIUCH-UHFFFAOYSA-N
XLogP5.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.52
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine?
The IUPAC name of N-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine (CID 22637299) is N-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine is CC(C)CC(CC(C)C)=NNC(CC(C)C)CC(C)C.
What is the InChIKey of N-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine?
The InChIKey is MYDNWDAOJQIUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-13(2)9-17(10-14(3)4)19-20-18(11-15(5)6)12-16(7)8/h13-17,19H,9-12H2,1-8H3.
What are the key properties of N-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine?
N-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine has a molecular weight of 282.52 g/mol, XLogP of 5.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 22637299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).