N-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine

C22H46N2 — CID 22637312

IUPACN-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine
SMILESCCC(C)CC(CC(C)CC)=NNC(CC(C)CC)CC(C)CC
InChIInChI=1S/C22H46N2/c1-9-17(5)13-21(14-18(6)10-2)23-24-22(15-19(7)11-3)16-20(8)12-4/h17-21,23H,9-16H2,1-8H3
InChIKeyVAKXCXGSKFSFJI-UHFFFAOYSA-N
MW338.62 g/mol
LogP7.05
Rot. Bonds14

About N-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine

N-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine (PubChem CID 22637312) has the molecular formula C22H46N2 and a molecular weight of 338.62 g/mol. Its IUPAC name is N-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine.

Molecular Properties

Compound NameN-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine
PubChem CID22637312
Molecular FormulaC22H46N2
Molecular Weight338.62 g/mol
Exact Mass338.37
IUPAC NameN-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine
SMILESCCC(C)CC(CC(C)CC)=NNC(CC(C)CC)CC(C)CC
InChIInChI=1S/C22H46N2/c1-9-17(5)13-21(14-18(6)10-2)23-24-22(15-19(7)11-3)16-20(8)12-4/h17-21,23H,9-16H2,1-8H3
InChIKeyVAKXCXGSKFSFJI-UHFFFAOYSA-N
XLogP7.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 57.05
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-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine?
The IUPAC name of N-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine (CID 22637312) is N-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine.
What is the SMILES notation for N-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine?
The canonical SMILES for N-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine is CCC(C)CC(CC(C)CC)=NNC(CC(C)CC)CC(C)CC.
What is the InChIKey of N-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine?
The InChIKey is VAKXCXGSKFSFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2/c1-9-17(5)13-21(14-18(6)10-2)23-24-22(15-19(7)11-3)16-20(8)12-4/h17-21,23H,9-16H2,1-8H3.
What are the key properties of N-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine?
N-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine has a molecular weight of 338.62 g/mol, XLogP of 7.05, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine is sourced from PubChem (CID 22637312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).