5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine

C24H49N3 — CID 87561207

IUPAC5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine
SMILESCC(C)C(=NCCCCCNCCCCCN=C(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C24H49N3/c1-19(2)23(20(3)4)26-17-13-9-11-15-25-16-12-10-14-18-27-24(21(5)6)22(7)8/h19-22,25H,9-18H2,1-8H3
InChIKeyJMUSQISNRIDPCN-UHFFFAOYSA-N
MW379.68 g/mol
LogP6.42
Rot. Bonds16

About 5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine

5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine (PubChem CID 87561207) has the molecular formula C24H49N3 and a molecular weight of 379.68 g/mol. Its IUPAC name is 5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine.

Molecular Properties

Compound Name5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine
PubChem CID87561207
Molecular FormulaC24H49N3
Molecular Weight379.68 g/mol
Exact Mass379.39
IUPAC Name5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine
SMILESCC(C)C(=NCCCCCNCCCCCN=C(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C24H49N3/c1-19(2)23(20(3)4)26-17-13-9-11-15-25-16-12-10-14-18-27-24(21(5)6)22(7)8/h19-22,25H,9-18H2,1-8H3
InChIKeyJMUSQISNRIDPCN-UHFFFAOYSA-N
XLogP6.42
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.68
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine?
The IUPAC name of 5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine (CID 87561207) is 5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine.
What is the SMILES notation for 5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine?
The canonical SMILES for 5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine is CC(C)C(=NCCCCCNCCCCCN=C(C(C)C)C(C)C)C(C)C.
What is the InChIKey of 5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine?
The InChIKey is JMUSQISNRIDPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N3/c1-19(2)23(20(3)4)26-17-13-9-11-15-25-16-12-10-14-18-27-24(21(5)6)22(7)8/h19-22,25H,9-18H2,1-8H3.
What are the key properties of 5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine?
5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine has a molecular weight of 379.68 g/mol, XLogP of 6.42, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine is sourced from PubChem (CID 87561207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).