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

Nicotine
CID 89594
Ethionamide
CID 2761171
Anabasine
CID 205586
(+-)-Dimethindene
CID 21855
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Pheniramine
CID 4761
Prothionamide
CID 666418
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
Betahistine
CID 2366

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).