2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine

C13H22N2 — CID 146668087

IUPAC2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine
SMILESCC(C)(CN)CC(C)(C)c1cccnc1
InChIInChI=1S/C13H22N2/c1-12(2,10-14)9-13(3,4)11-6-5-7-15-8-11/h5-8H,9-10,14H2,1-4H3
InChIKeyXSUIPUXMBIJYDQ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.73
Rot. Bonds4

About 2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine

2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine (PubChem CID 146668087) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine.

Molecular Properties

Compound Name2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine
PubChem CID146668087
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine
SMILESCC(C)(CN)CC(C)(C)c1cccnc1
InChIInChI=1S/C13H22N2/c1-12(2,10-14)9-13(3,4)11-6-5-7-15-8-11/h5-8H,9-10,14H2,1-4H3
InChIKeyXSUIPUXMBIJYDQ-UHFFFAOYSA-N
XLogP2.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
3-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)propanamide
CID 115154800
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine
CID 115135086
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
3-(1-bromo-1-pyridin-3-ylpropyl)pyridine
CID 175286517
2,2-diethoxy-2-pyridin-3-ylethanamine
CID 10987537
4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115157165
2-methyl-2-pyridin-3-ylpropane-1,3-diol
CID 130130273
3-(2,13,13-trimethyltetradecan-2-yl)pyridine
CID 126684092
4-methyl-4-pyridin-3-ylpentan-2-ol
CID 64716407
4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115155544

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine?
The IUPAC name of 2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine (CID 146668087) is 2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine.
What is the SMILES notation for 2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine?
The canonical SMILES for 2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine is CC(C)(CN)CC(C)(C)c1cccnc1.
What is the InChIKey of 2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine?
The InChIKey is XSUIPUXMBIJYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-12(2,10-14)9-13(3,4)11-6-5-7-15-8-11/h5-8H,9-10,14H2,1-4H3.
What are the key properties of 2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine?
2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine is sourced from PubChem (CID 146668087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).