N-(3,3-dimethylbutan-2-yl)pyridin-2-amine

C11H18N2 — CID 112704501

IUPACN-(3,3-dimethylbutan-2-yl)pyridin-2-amine
SMILESCC(Nc1ccccn1)C(C)(C)C
InChIInChI=1S/C11H18N2/c1-9(11(2,3)4)13-10-7-5-6-8-12-10/h5-9H,1-4H3,(H,12,13)
InChIKeyHWZSFJHHZLVEAL-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.93
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)pyridin-2-amine

N-(3,3-dimethylbutan-2-yl)pyridin-2-amine (PubChem CID 112704501) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)pyridin-2-amine
PubChem CID112704501
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-(3,3-dimethylbutan-2-yl)pyridin-2-amine
SMILESCC(Nc1ccccn1)C(C)(C)C
InChIInChI=1S/C11H18N2/c1-9(11(2,3)4)13-10-7-5-6-8-12-10/h5-9H,1-4H3,(H,12,13)
InChIKeyHWZSFJHHZLVEAL-UHFFFAOYSA-N
XLogP2.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine
CID 59533491
dichlorocobalt;N-propan-2-ylpyridin-2-amine
CID 175191424
1-(pyridin-2-ylamino)ethanol
CID 20521375
N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine
CID 115922894
N-[bis(phosphanyl)methyl]pyridin-2-amine
CID 118465849
N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine
CID 106354276
2-(pyridin-2-ylamino)propan-2-ol
CID 91613794
2,4-dimethyl-1-(pyridin-2-ylamino)pentan-2-ol
CID 66179990
N-ethylpropan-2-amine;methane;N-propan-2-ylpyridin-2-amine
CID 158791390
N-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine
CID 115921477
4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine
CID 104830614
N-methyl-2-(pyridin-2-ylamino)propanamide
CID 61464552

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)pyridin-2-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)pyridin-2-amine (CID 112704501) is N-(3,3-dimethylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)pyridin-2-amine is CC(Nc1ccccn1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)pyridin-2-amine?
The InChIKey is HWZSFJHHZLVEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(11(2,3)4)13-10-7-5-6-8-12-10/h5-9H,1-4H3,(H,12,13).
What are the key properties of N-(3,3-dimethylbutan-2-yl)pyridin-2-amine?
N-(3,3-dimethylbutan-2-yl)pyridin-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 112704501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).