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

C16H28N2 — CID 66447424

IUPAC5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine
SMILESCCCNC(CC(C)(C)C)C(C)c1ccccn1
InChIInChI=1S/C16H28N2/c1-6-10-17-15(12-16(3,4)5)13(2)14-9-7-8-11-18-14/h7-9,11,13,15,17H,6,10,12H2,1-5H3
InChIKeyAESSDVWZZUFUHI-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.99
Rot. Bonds6

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

5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine (PubChem CID 66447424) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine
PubChem CID66447424
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine
SMILESCCCNC(CC(C)(C)C)C(C)c1ccccn1
InChIInChI=1S/C16H28N2/c1-6-10-17-15(12-16(3,4)5)13(2)14-9-7-8-11-18-14/h7-9,11,13,15,17H,6,10,12H2,1-5H3
InChIKeyAESSDVWZZUFUHI-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine
CID 114249556
2,2-dimethyl-N-propyl-1-pyridin-2-ylpropan-1-amine
CID 62395548
N,4-dipropyl-2-pyridin-2-ylheptan-3-amine
CID 82987036
5,5-dimethyl-2-pyridin-2-ylhexan-3-amine
CID 66448754
N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
CID 66447627
1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine
CID 66446842
3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 60820074
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957
1-(2-methylfuran-3-yl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66448009
N-propyl-2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 66446839
N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 62802656
1-(2-methylcyclopentyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 107179902

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine?
The IUPAC name of 5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine (CID 66447424) is 5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine?
The canonical SMILES for 5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine is CCCNC(CC(C)(C)C)C(C)c1ccccn1.
What is the InChIKey of 5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine?
The InChIKey is AESSDVWZZUFUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-10-17-15(12-16(3,4)5)13(2)14-9-7-8-11-18-14/h7-9,11,13,15,17H,6,10,12H2,1-5H3.
What are the key properties of 5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine?
5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine has a molecular weight of 248.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine is sourced from PubChem (CID 66447424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).