3-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,3-dimethylbutan-2-amine

C19H39N3O — CID 126625003

IUPAC3-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,3-dimethylbutan-2-amine
SMILES[H]/N=C(CCC)/C(CCC)=N/C(C)(C)CCOC(C)(C)C(C)(C)N
InChIInChI=1S/C19H39N3O/c1-9-11-15(20)16(12-10-2)22-17(3,4)13-14-23-19(7,8)18(5,6)21/h20H,9-14,21H2,1-8H3/b20-15+,22-16+
InChIKeyWYRORGHSYCZYFO-RQRAPYSXSA-N
MW325.54 g/mol
LogP4.75
Rot. Bonds11

About 3-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,3-dimethylbutan-2-amine

3-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,3-dimethylbutan-2-amine (PubChem CID 126625003) has the molecular formula C19H39N3O and a molecular weight of 325.54 g/mol. Its IUPAC name is 3-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name3-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,3-dimethylbutan-2-amine
PubChem CID126625003
Molecular FormulaC19H39N3O
Molecular Weight325.54 g/mol
Exact Mass325.31
IUPAC Name3-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,3-dimethylbutan-2-amine
SMILES[H]/N=C(CCC)/C(CCC)=N/C(C)(C)CCOC(C)(C)C(C)(C)N
InChIInChI=1S/C19H39N3O/c1-9-11-15(20)16(12-10-2)22-17(3,4)13-14-23-19(7,8)18(5,6)21/h20H,9-14,21H2,1-8H3/b20-15+,22-16+
InChIKeyWYRORGHSYCZYFO-RQRAPYSXSA-N
XLogP4.75
TPSA71.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,3-dimethylbutan-2-amine?
The IUPAC name of 3-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,3-dimethylbutan-2-amine (CID 126625003) is 3-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,3-dimethylbutan-2-amine.
What is the SMILES notation for 3-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,3-dimethylbutan-2-amine?
The canonical SMILES for 3-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,3-dimethylbutan-2-amine is [H]/N=C(CCC)/C(CCC)=N/C(C)(C)CCOC(C)(C)C(C)(C)N.
What is the InChIKey of 3-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,3-dimethylbutan-2-amine?
The InChIKey is WYRORGHSYCZYFO-RQRAPYSXSA-N. The full InChI is InChI=1S/C19H39N3O/c1-9-11-15(20)16(12-10-2)22-17(3,4)13-14-23-19(7,8)18(5,6)21/h20H,9-14,21H2,1-8H3/b20-15+,22-16+.
What are the key properties of 3-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,3-dimethylbutan-2-amine?
3-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,3-dimethylbutan-2-amine has a molecular weight of 325.54 g/mol, XLogP of 4.75, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,3-dimethylbutan-2-amine is sourced from PubChem (CID 126625003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).