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

C15H26N2 — CID 114284954

IUPACN-ethyl-3,5-dimethyl-2-pyridin-3-ylhexan-1-amine
SMILESCCNCC(c1cccnc1)C(C)CC(C)C
InChIInChI=1S/C15H26N2/c1-5-16-11-15(13(4)9-12(2)3)14-7-6-8-17-10-14/h6-8,10,12-13,15-16H,5,9,11H2,1-4H3
InChIKeyIMHLOWYWVJMPOF-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.46
Rot. Bonds7

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

N-ethyl-3,5-dimethyl-2-pyridin-3-ylhexan-1-amine (PubChem CID 114284954) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-pyridin-3-ylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-pyridin-3-ylhexan-1-amine
PubChem CID114284954
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-ethyl-3,5-dimethyl-2-pyridin-3-ylhexan-1-amine
SMILESCCNCC(c1cccnc1)C(C)CC(C)C
InChIInChI=1S/C15H26N2/c1-5-16-11-15(13(4)9-12(2)3)14-7-6-8-17-10-14/h6-8,10,12-13,15-16H,5,9,11H2,1-4H3
InChIKeyIMHLOWYWVJMPOF-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-2-pyridin-3-ylhexan-1-amine
CID 107887227
N-tert-butyl-3-methyl-2-pyridin-3-ylpentan-1-amine
CID 80522237
3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404636
N-ethyl-3-methyl-2-phenylpentan-1-amine
CID 43163708
4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
CID 43203538
4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one
CID 116565297
N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine
CID 104581333
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65383709
4-methyl-2-pyridin-3-ylpentanamide
CID 68724697
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
3-(4-bromo-3-methylbutan-2-yl)pyridine
CID 83929749

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-pyridin-3-ylhexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-pyridin-3-ylhexan-1-amine (CID 114284954) is N-ethyl-3,5-dimethyl-2-pyridin-3-ylhexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-pyridin-3-ylhexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-pyridin-3-ylhexan-1-amine is CCNCC(c1cccnc1)C(C)CC(C)C.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-pyridin-3-ylhexan-1-amine?
The InChIKey is IMHLOWYWVJMPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-16-11-15(13(4)9-12(2)3)14-7-6-8-17-10-14/h6-8,10,12-13,15-16H,5,9,11H2,1-4H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-pyridin-3-ylhexan-1-amine?
N-ethyl-3,5-dimethyl-2-pyridin-3-ylhexan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-pyridin-3-ylhexan-1-amine is sourced from PubChem (CID 114284954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).