2-tert-butyl-2-fluoro-4-methylheptan-1-amine

C12H26FN — CID 112566629

IUPAC2-tert-butyl-2-fluoro-4-methylheptan-1-amine
SMILESCCCC(C)CC(F)(CN)C(C)(C)C
InChIInChI=1S/C12H26FN/c1-6-7-10(2)8-12(13,9-14)11(3,4)5/h10H,6-9,14H2,1-5H3
InChIKeyQJTKTHNSNPNQDR-UHFFFAOYSA-N
MW203.34 g/mol
LogP3.53
Rot. Bonds5

About 2-tert-butyl-2-fluoro-4-methylheptan-1-amine

2-tert-butyl-2-fluoro-4-methylheptan-1-amine (PubChem CID 112566629) has the molecular formula C12H26FN and a molecular weight of 203.34 g/mol. Its IUPAC name is 2-tert-butyl-2-fluoro-4-methylheptan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-2-fluoro-4-methylheptan-1-amine
PubChem CID112566629
Molecular FormulaC12H26FN
Molecular Weight203.34 g/mol
Exact Mass203.20
IUPAC Name2-tert-butyl-2-fluoro-4-methylheptan-1-amine
SMILESCCCC(C)CC(F)(CN)C(C)(C)C
InChIInChI=1S/C12H26FN/c1-6-7-10(2)8-12(13,9-14)11(3,4)5/h10H,6-9,14H2,1-5H3
InChIKeyQJTKTHNSNPNQDR-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-2-fluoro-4-methylheptan-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

Related Compounds

2-fluoro-2,3-dimethylhexan-1-amine
CID 107889779
2-tert-butyl-2-fluoroheptan-1-amine
CID 112566451
ethane;(5R)-3,3,5-trimethyloctane
CID 143538899
2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine
CID 112566443
(3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane
CID 143524876
2-tert-butyl-2-fluorododecan-1-amine
CID 112566450
2-N,2-dimethyl-2-N-(2-methylpentyl)propane-1,2-diamine
CID 62264836
1,1,1-trichloro-3-methylhexane
CID 23264412
1-chloro-2,2,4-trimethylheptane
CID 66059738
1-bromo-2-(bromomethyl)-2,4-dimethylheptane
CID 79453962
3-amino-3-fluoro-5-methyl-2-oxooctanamide
CID 123627486
4-methylheptane
CID 11512

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-fluoro-4-methylheptan-1-amine?
The IUPAC name of 2-tert-butyl-2-fluoro-4-methylheptan-1-amine (CID 112566629) is 2-tert-butyl-2-fluoro-4-methylheptan-1-amine.
What is the SMILES notation for 2-tert-butyl-2-fluoro-4-methylheptan-1-amine?
The canonical SMILES for 2-tert-butyl-2-fluoro-4-methylheptan-1-amine is CCCC(C)CC(F)(CN)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2-fluoro-4-methylheptan-1-amine?
The InChIKey is QJTKTHNSNPNQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FN/c1-6-7-10(2)8-12(13,9-14)11(3,4)5/h10H,6-9,14H2,1-5H3.
What are the key properties of 2-tert-butyl-2-fluoro-4-methylheptan-1-amine?
2-tert-butyl-2-fluoro-4-methylheptan-1-amine has a molecular weight of 203.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-fluoro-4-methylheptan-1-amine is sourced from PubChem (CID 112566629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).