4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine

C16H28N2 — CID 115375309

IUPAC4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine
SMILESCCCNC(CCc1cncc(C)c1)C(C)(C)C
InChIInChI=1S/C16H28N2/c1-6-9-18-15(16(3,4)5)8-7-14-10-13(2)11-17-12-14/h10-12,15,18H,6-9H2,1-5H3
InChIKeyJPZCQLKLJYWTAP-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.74
Rot. Bonds6

About 4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine

4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine (PubChem CID 115375309) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine
PubChem CID115375309
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine
SMILESCCCNC(CCc1cncc(C)c1)C(C)(C)C
InChIInChI=1S/C16H28N2/c1-6-9-18-15(16(3,4)5)8-7-14-10-13(2)11-17-12-14/h10-12,15,18H,6-9H2,1-5H3
InChIKeyJPZCQLKLJYWTAP-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine
CID 115375289
1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 104801436
1-(2-chloro-4-methylphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 106864903
N-ethyl-2-(5-methyl-3-pyridinyl)ethanamine
CID 115375184
3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 115375282
N-methyl-2-(5-methyl-3-pyridinyl)ethanamine
CID 82594770
1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine
CID 63494152
2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 115375189
2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
CID 102794623
N-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine
CID 102880165
1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 55185963
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 82782609

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine?
The IUPAC name of 4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine (CID 115375309) is 4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine.
What is the SMILES notation for 4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine?
The canonical SMILES for 4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine is CCCNC(CCc1cncc(C)c1)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine?
The InChIKey is JPZCQLKLJYWTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-9-18-15(16(3,4)5)8-7-14-10-13(2)11-17-12-14/h10-12,15,18H,6-9H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine?
4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine has a molecular weight of 248.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine is sourced from PubChem (CID 115375309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).