N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine

C13H22N2 — CID 59533491

IUPACN-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine
SMILESCC(C)[C@H](Nc1ccccn1)C(C)(C)C
InChIInChI=1S/C13H22N2/c1-10(2)12(13(3,4)5)15-11-8-6-7-9-14-11/h6-10,12H,1-5H3,(H,14,15)/t12-/m0/s1
InChIKeyLQGJSOCSUWTIHR-LBPRGKRZSA-N
MW206.33 g/mol
LogP3.56
Rot. Bonds3

About N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine

N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine (PubChem CID 59533491) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine
PubChem CID59533491
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine
SMILESCC(C)[C@H](Nc1ccccn1)C(C)(C)C
InChIInChI=1S/C13H22N2/c1-10(2)12(13(3,4)5)15-11-8-6-7-9-14-11/h6-10,12H,1-5H3,(H,14,15)/t12-/m0/s1
InChIKeyLQGJSOCSUWTIHR-LBPRGKRZSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-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

N-(3,3-dimethylbutan-2-yl)pyridin-2-amine
CID 112704501
dichlorocobalt;N-propan-2-ylpyridin-2-amine
CID 175191424
1-(pyridin-2-ylamino)ethanol
CID 20521375
N-ethylpropan-2-amine;methane;N-propan-2-ylpyridin-2-amine
CID 158791390
5-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-2-amine
CID 158245544
N-[bis(phosphanyl)methyl]pyridin-2-amine
CID 118465849
N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine
CID 106354276
(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
CID 40545835
2-(pyridin-2-ylamino)propan-2-ol
CID 91613794
N-[1-(3-methylphenyl)ethyl]pyridin-2-amine
CID 115916909
N-[1-(3-bromophenyl)ethyl]pyridin-2-amine
CID 60969828
N-[1-(3-aminophenyl)ethyl]pyridin-2-amine
CID 60869070

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine?
The IUPAC name of N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine (CID 59533491) is N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine?
The canonical SMILES for N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine is CC(C)[C@H](Nc1ccccn1)C(C)(C)C.
What is the InChIKey of N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine?
The InChIKey is LQGJSOCSUWTIHR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)12(13(3,4)5)15-11-8-6-7-9-14-11/h6-10,12H,1-5H3,(H,14,15)/t12-/m0/s1.
What are the key properties of N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine?
N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine has a molecular weight of 206.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine is sourced from PubChem (CID 59533491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).