5,5-dimethyl-2-pyridin-2-ylhexan-3-amine

C13H22N2 — CID 66448754

IUPAC5,5-dimethyl-2-pyridin-2-ylhexan-3-amine
SMILESCC(c1ccccn1)C(N)CC(C)(C)C
InChIInChI=1S/C13H22N2/c1-10(11(14)9-13(2,3)4)12-7-5-6-8-15-12/h5-8,10-11H,9,14H2,1-4H3
InChIKeyVYRTXOSEQKTFBL-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.95
Rot. Bonds3

About 5,5-dimethyl-2-pyridin-2-ylhexan-3-amine

5,5-dimethyl-2-pyridin-2-ylhexan-3-amine (PubChem CID 66448754) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 5,5-dimethyl-2-pyridin-2-ylhexan-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-2-pyridin-2-ylhexan-3-amine
PubChem CID66448754
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name5,5-dimethyl-2-pyridin-2-ylhexan-3-amine
SMILESCC(c1ccccn1)C(N)CC(C)(C)C
InChIInChI=1S/C13H22N2/c1-10(11(14)9-13(2,3)4)12-7-5-6-8-15-12/h5-8,10-11H,9,14H2,1-4H3
InChIKeyVYRTXOSEQKTFBL-UHFFFAOYSA-N
XLogP2.95
TPSA38.91 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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyridin-2-ylbutane-1,2-diamine
CID 67591241
(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine
CID 99737676
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
1-methylsulfonyl-3-pyridin-2-ylbutan-2-amine
CID 66448366
2-pyridin-2-ylnonan-3-amine
CID 114753071
5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine
CID 66447424
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
1-cyclohexyl-3-pyridin-2-ylbutan-2-amine
CID 66448950
(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 86767543
2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine
CID 71203343
2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine
CID 66447009
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-pyridin-2-ylhexan-3-amine?
The IUPAC name of 5,5-dimethyl-2-pyridin-2-ylhexan-3-amine (CID 66448754) is 5,5-dimethyl-2-pyridin-2-ylhexan-3-amine.
What is the SMILES notation for 5,5-dimethyl-2-pyridin-2-ylhexan-3-amine?
The canonical SMILES for 5,5-dimethyl-2-pyridin-2-ylhexan-3-amine is CC(c1ccccn1)C(N)CC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-2-pyridin-2-ylhexan-3-amine?
The InChIKey is VYRTXOSEQKTFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(11(14)9-13(2,3)4)12-7-5-6-8-15-12/h5-8,10-11H,9,14H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-pyridin-2-ylhexan-3-amine?
5,5-dimethyl-2-pyridin-2-ylhexan-3-amine has a molecular weight of 206.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-pyridin-2-ylhexan-3-amine is sourced from PubChem (CID 66448754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).