N-octylaziridin-1-amine

C10H22N2 — CID 175164558

IUPACN-octylaziridin-1-amine
SMILESCCCCCCCCNN1CC1
InChIInChI=1S/C10H22N2/c1-2-3-4-5-6-7-8-11-12-9-10-12/h11H,2-10H2,1H3
InChIKeyPFBIWAPBDFOMOK-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.17
Rot. Bonds8

About N-octylaziridin-1-amine

N-octylaziridin-1-amine (PubChem CID 175164558) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-octylaziridin-1-amine.

Molecular Properties

Compound NameN-octylaziridin-1-amine
PubChem CID175164558
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-octylaziridin-1-amine
SMILESCCCCCCCCNN1CC1
InChIInChI=1S/C10H22N2/c1-2-3-4-5-6-7-8-11-12-9-10-12/h11H,2-10H2,1H3
InChIKeyPFBIWAPBDFOMOK-UHFFFAOYSA-N
XLogP2.17
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-octadecylaziridin-1-amine
CID 56627527
4-methyl-N-octylpiperazin-1-amine
CID 83010569
N-icosylpyrrolidin-1-amine
CID 23212585
N-pentadecylpiperazin-1-amine
CID 11690308
N-tetradecylmorpholin-4-amine;hydrobromide
CID 174875915
4-(2-aminoethyl)-N-tridecylpiperazin-1-amine
CID 175591304
N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine
CID 67486995
N-octylpyrrol-1-amine
CID 69416123
2-methyl-N-octyldiazinan-1-amine
CID 118516875
N-hexadecyl-2-methylaziridin-1-amine
CID 19089554
N-hexyl-2,5-dimethylpyrrol-1-amine
CID 79101002
hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate
CID 118924385

Frequently Asked Questions

What is the IUPAC name of N-octylaziridin-1-amine?
The IUPAC name of N-octylaziridin-1-amine (CID 175164558) is N-octylaziridin-1-amine.
What is the SMILES notation for N-octylaziridin-1-amine?
The canonical SMILES for N-octylaziridin-1-amine is CCCCCCCCNN1CC1.
What is the InChIKey of N-octylaziridin-1-amine?
The InChIKey is PFBIWAPBDFOMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-2-3-4-5-6-7-8-11-12-9-10-12/h11H,2-10H2,1H3.
What are the key properties of N-octylaziridin-1-amine?
N-octylaziridin-1-amine has a molecular weight of 170.30 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octylaziridin-1-amine is sourced from PubChem (CID 175164558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).