N-[2-(aziridin-1-yl)ethyl]-3,7-dimethyloct-6-en-1-amine

C14H28N2 — CID 541471

IUPACN-[2-(aziridin-1-yl)ethyl]-3,7-dimethyloct-6-en-1-amine
SMILESCC(C)=CCCC(C)CCNCCN1CC1
InChIInChI=1S/C14H28N2/c1-13(2)5-4-6-14(3)7-8-15-9-10-16-11-12-16/h5,14-15H,4,6-12H2,1-3H3
InChIKeyKCDCOFOGWFEZOS-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds9

About N-[2-(aziridin-1-yl)ethyl]-3,7-dimethyloct-6-en-1-amine

N-[2-(aziridin-1-yl)ethyl]-3,7-dimethyloct-6-en-1-amine (PubChem CID 541471) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[2-(aziridin-1-yl)ethyl]-3,7-dimethyloct-6-en-1-amine.

Molecular Properties

Compound NameN-[2-(aziridin-1-yl)ethyl]-3,7-dimethyloct-6-en-1-amine
PubChem CID541471
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[2-(aziridin-1-yl)ethyl]-3,7-dimethyloct-6-en-1-amine
SMILESCC(C)=CCCC(C)CCNCCN1CC1
InChIInChI=1S/C14H28N2/c1-13(2)5-4-6-14(3)7-8-15-9-10-16-11-12-16/h5,14-15H,4,6-12H2,1-3H3
InChIKeyKCDCOFOGWFEZOS-UHFFFAOYSA-N
XLogP2.66
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aziridin-1-yl)ethyl]-3,7-dimethyloct-6-en-1-amine?
The IUPAC name of N-[2-(aziridin-1-yl)ethyl]-3,7-dimethyloct-6-en-1-amine (CID 541471) is N-[2-(aziridin-1-yl)ethyl]-3,7-dimethyloct-6-en-1-amine.
What is the SMILES notation for N-[2-(aziridin-1-yl)ethyl]-3,7-dimethyloct-6-en-1-amine?
The canonical SMILES for N-[2-(aziridin-1-yl)ethyl]-3,7-dimethyloct-6-en-1-amine is CC(C)=CCCC(C)CCNCCN1CC1.
What is the InChIKey of N-[2-(aziridin-1-yl)ethyl]-3,7-dimethyloct-6-en-1-amine?
The InChIKey is KCDCOFOGWFEZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2)5-4-6-14(3)7-8-15-9-10-16-11-12-16/h5,14-15H,4,6-12H2,1-3H3.
What are the key properties of N-[2-(aziridin-1-yl)ethyl]-3,7-dimethyloct-6-en-1-amine?
N-[2-(aziridin-1-yl)ethyl]-3,7-dimethyloct-6-en-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aziridin-1-yl)ethyl]-3,7-dimethyloct-6-en-1-amine is sourced from PubChem (CID 541471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).