3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine

C16H28N2 — CID 114284861

IUPAC3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine
SMILESCCCNC(Cc1cccnc1)C(C)CC(C)C
InChIInChI=1S/C16H28N2/c1-5-8-18-16(14(4)10-13(2)3)11-15-7-6-9-17-12-15/h6-7,9,12-14,16,18H,5,8,10-11H2,1-4H3
InChIKeyGTCDZIMDUDSIOS-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.67
Rot. Bonds8

About 3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine

3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine (PubChem CID 114284861) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine
PubChem CID114284861
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine
SMILESCCCNC(Cc1cccnc1)C(C)CC(C)C
InChIInChI=1S/C16H28N2/c1-5-8-18-16(14(4)10-13(2)3)11-15-7-6-9-17-12-15/h6-7,9,12-14,16,18H,5,8,10-11H2,1-4H3
InChIKeyGTCDZIMDUDSIOS-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine
CID 79190636
1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 66468598
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 107504138
1-(3-bromophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552254
1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 114931955
N-[1-(furan-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63949988

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine?
The IUPAC name of 3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine (CID 114284861) is 3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine.
What is the SMILES notation for 3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine?
The canonical SMILES for 3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine is CCCNC(Cc1cccnc1)C(C)CC(C)C.
What is the InChIKey of 3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine?
The InChIKey is GTCDZIMDUDSIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-8-18-16(14(4)10-13(2)3)11-15-7-6-9-17-12-15/h6-7,9,12-14,16,18H,5,8,10-11H2,1-4H3.
What are the key properties of 3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine?
3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine has a molecular weight of 248.41 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine is sourced from PubChem (CID 114284861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).