N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine

C16H28N2 — CID 114282261

IUPACN,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine
SMILESCNC(C(C)c1ccncc1)C(C(C)C)C(C)C
InChIInChI=1S/C16H28N2/c1-11(2)15(12(3)4)16(17-6)13(5)14-7-9-18-10-8-14/h7-13,15-17H,1-6H3
InChIKeyTWNUDZUIQCSOJW-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.70
Rot. Bonds6

About N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine

N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine (PubChem CID 114282261) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine
PubChem CID114282261
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine
SMILESCNC(C(C)c1ccncc1)C(C(C)C)C(C)C
InChIInChI=1S/C16H28N2/c1-11(2)15(12(3)4)16(17-6)13(5)14-7-9-18-10-8-14/h7-13,15-17H,1-6H3
InChIKeyTWNUDZUIQCSOJW-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1,2-dipyridin-4-ylpropan-1-amine
CID 66446384
N-methyl-1-pyridin-4-ylethanamine;dihydrochloride
CID 42921481
N,5-dimethyl-2-pyridin-4-ylhexan-3-amine
CID 66447939
N-methyl-1-phenyl-2-pyridin-4-ylpropan-1-amine
CID 66446573
N,5-dimethyl-2-pyridin-4-ylheptan-3-amine
CID 114875188
1-(methylamino)-1-pyridin-4-ylpropan-2-ol
CID 116859507
2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine
CID 79299366
N-methyl-1-(3-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine
CID 66448517
1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine
CID 103164322
1-(2-fluorophenyl)-N-methyl-2-pyridin-4-ylpropan-1-amine
CID 66446959
N-methyl-1-(oxan-2-yl)-2-pyridin-4-ylpropan-1-amine
CID 66447748
N,4-dimethyl-1-pyridin-4-ylpentan-1-amine
CID 62600732

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine?
The IUPAC name of N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine (CID 114282261) is N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine.
What is the SMILES notation for N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine?
The canonical SMILES for N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine is CNC(C(C)c1ccncc1)C(C(C)C)C(C)C.
What is the InChIKey of N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine?
The InChIKey is TWNUDZUIQCSOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-11(2)15(12(3)4)16(17-6)13(5)14-7-9-18-10-8-14/h7-13,15-17H,1-6H3.
What are the key properties of N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine?
N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine has a molecular weight of 248.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine is sourced from PubChem (CID 114282261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).