N-(cyclododecylideneamino)pentan-2-amine

C17H34N2 — CID 57102323

IUPACN-(cyclododecylideneamino)pentan-2-amine
SMILESCCCC(C)NN=C1CCCCCCCCCCC1
InChIInChI=1S/C17H34N2/c1-3-13-16(2)18-19-17-14-11-9-7-5-4-6-8-10-12-15-17/h16,18H,3-15H2,1-2H3
InChIKeyGEJLUGJPVDGWAB-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.43
Rot. Bonds4

About N-(cyclododecylideneamino)pentan-2-amine

N-(cyclododecylideneamino)pentan-2-amine (PubChem CID 57102323) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-(cyclododecylideneamino)pentan-2-amine.

Molecular Properties

Compound NameN-(cyclododecylideneamino)pentan-2-amine
PubChem CID57102323
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-(cyclododecylideneamino)pentan-2-amine
SMILESCCCC(C)NN=C1CCCCCCCCCCC1
InChIInChI=1S/C17H34N2/c1-3-13-16(2)18-19-17-14-11-9-7-5-4-6-8-10-12-15-17/h16,18H,3-15H2,1-2H3
InChIKeyGEJLUGJPVDGWAB-UHFFFAOYSA-N
XLogP5.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.43
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-(cyclododecylideneamino)pentan-2-amine?
The IUPAC name of N-(cyclododecylideneamino)pentan-2-amine (CID 57102323) is N-(cyclododecylideneamino)pentan-2-amine.
What is the SMILES notation for N-(cyclododecylideneamino)pentan-2-amine?
The canonical SMILES for N-(cyclododecylideneamino)pentan-2-amine is CCCC(C)NN=C1CCCCCCCCCCC1.
What is the InChIKey of N-(cyclododecylideneamino)pentan-2-amine?
The InChIKey is GEJLUGJPVDGWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-13-16(2)18-19-17-14-11-9-7-5-4-6-8-10-12-15-17/h16,18H,3-15H2,1-2H3.
What are the key properties of N-(cyclododecylideneamino)pentan-2-amine?
N-(cyclododecylideneamino)pentan-2-amine has a molecular weight of 266.47 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclododecylideneamino)pentan-2-amine is sourced from PubChem (CID 57102323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).