1-butyl-2-hexyl-1,3-diazinane

C14H30N2 — CID 163782424

IUPAC1-butyl-2-hexyl-1,3-diazinane
SMILESCCCCCCC1NCCCN1CCCC
InChIInChI=1S/C14H30N2/c1-3-5-7-8-10-14-15-11-9-13-16(14)12-6-4-2/h14-15H,3-13H2,1-2H3
InChIKeyMPRQZDBUQRIOLT-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.38
Rot. Bonds8

About 1-butyl-2-hexyl-1,3-diazinane

1-butyl-2-hexyl-1,3-diazinane (PubChem CID 163782424) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-butyl-2-hexyl-1,3-diazinane.

Molecular Properties

Compound Name1-butyl-2-hexyl-1,3-diazinane
PubChem CID163782424
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-butyl-2-hexyl-1,3-diazinane
SMILESCCCCCCC1NCCCN1CCCC
InChIInChI=1S/C14H30N2/c1-3-5-7-8-10-14-15-11-9-13-16(14)12-6-4-2/h14-15H,3-13H2,1-2H3
InChIKeyMPRQZDBUQRIOLT-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-butyl-2-hexyl-1,3-diazinane with MolForge

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

Launch Full Analysis

Related Compounds

1,2-didodecyl-1,3-diazinane
CID 70559928
1,2-dipentyl-1,3-diazinane
CID 67611094
2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
CID 142741314
2-(2-heptadecylimidazolidin-1-yl)acetic acid
CID 70577882
5-butyl-1,2,3,4,5a,6,8,8a-octahydrothieno[3,4-b][1,4]diazepine 7,7-dioxide
CID 117005469
3-butyl-2-dodecylimidazolidin-1-amine
CID 19994298
(2S)-2-hexylpyrrolidine
CID 7047826
(4R)-1-[4-[(4R)-4-heptyl-2-oxo-1,5-diazocan-1-yl]butyl]-4-pentyl-1,5-diazocan-2-one
CID 11454420
3-ethyl-1-octyl-1,4-diazepane
CID 64871697
2-nonyl-1,3-thiazinane;hydrochloride
CID 3061409
2-butyl-1-hexylpiperidine
CID 171569565
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-hexyl-1,3-diazinane?
The IUPAC name of 1-butyl-2-hexyl-1,3-diazinane (CID 163782424) is 1-butyl-2-hexyl-1,3-diazinane.
What is the SMILES notation for 1-butyl-2-hexyl-1,3-diazinane?
The canonical SMILES for 1-butyl-2-hexyl-1,3-diazinane is CCCCCCC1NCCCN1CCCC.
What is the InChIKey of 1-butyl-2-hexyl-1,3-diazinane?
The InChIKey is MPRQZDBUQRIOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-5-7-8-10-14-15-11-9-13-16(14)12-6-4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-butyl-2-hexyl-1,3-diazinane?
1-butyl-2-hexyl-1,3-diazinane has a molecular weight of 226.41 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-hexyl-1,3-diazinane is sourced from PubChem (CID 163782424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).