N-(2-hex-1-enoxyethyl)hex-1-en-1-amine

C14H27NO — CID 121299826

IUPACN-(2-hex-1-enoxyethyl)hex-1-en-1-amine
SMILESCCCCC=CNCCOC=CCCCC
InChIInChI=1S/C14H27NO/c1-3-5-7-9-11-15-12-14-16-13-10-8-6-4-2/h9-11,13,15H,3-8,12,14H2,1-2H3
InChIKeyNJFMVILWCMHUJJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP4.00
Rot. Bonds11

About N-(2-hex-1-enoxyethyl)hex-1-en-1-amine

N-(2-hex-1-enoxyethyl)hex-1-en-1-amine (PubChem CID 121299826) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(2-hex-1-enoxyethyl)hex-1-en-1-amine.

Molecular Properties

Compound NameN-(2-hex-1-enoxyethyl)hex-1-en-1-amine
PubChem CID121299826
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(2-hex-1-enoxyethyl)hex-1-en-1-amine
SMILESCCCCC=CNCCOC=CCCCC
InChIInChI=1S/C14H27NO/c1-3-5-7-9-11-15-12-14-16-13-10-8-6-4-2/h9-11,13,15H,3-8,12,14H2,1-2H3
InChIKeyNJFMVILWCMHUJJ-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-hex-1-enoxyethyl)hex-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hex-1-enoxyethyl)hex-1-en-1-amine?
The IUPAC name of N-(2-hex-1-enoxyethyl)hex-1-en-1-amine (CID 121299826) is N-(2-hex-1-enoxyethyl)hex-1-en-1-amine.
What is the SMILES notation for N-(2-hex-1-enoxyethyl)hex-1-en-1-amine?
The canonical SMILES for N-(2-hex-1-enoxyethyl)hex-1-en-1-amine is CCCCC=CNCCOC=CCCCC.
What is the InChIKey of N-(2-hex-1-enoxyethyl)hex-1-en-1-amine?
The InChIKey is NJFMVILWCMHUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-5-7-9-11-15-12-14-16-13-10-8-6-4-2/h9-11,13,15H,3-8,12,14H2,1-2H3.
What are the key properties of N-(2-hex-1-enoxyethyl)hex-1-en-1-amine?
N-(2-hex-1-enoxyethyl)hex-1-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 4.00, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hex-1-enoxyethyl)hex-1-en-1-amine is sourced from PubChem (CID 121299826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).