N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine

C14H24N2 — CID 105170568

IUPACN-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine
SMILESCCNC(CCc1ccccn1)C(C)CC
InChIInChI=1S/C14H24N2/c1-4-12(3)14(15-5-2)10-9-13-8-6-7-11-16-13/h6-8,11-12,14-15H,4-5,9-10H2,1-3H3
InChIKeyHUQNCUMDOSTYNN-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.04
Rot. Bonds7

About N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine

N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine (PubChem CID 105170568) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine
PubChem CID105170568
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine
SMILESCCNC(CCc1ccccn1)C(C)CC
InChIInChI=1S/C14H24N2/c1-4-12(3)14(15-5-2)10-9-13-8-6-7-11-16-13/h6-8,11-12,14-15H,4-5,9-10H2,1-3H3
InChIKeyHUQNCUMDOSTYNN-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine?
The IUPAC name of N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine (CID 105170568) is N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine?
The canonical SMILES for N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine is CCNC(CCc1ccccn1)C(C)CC.
What is the InChIKey of N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine?
The InChIKey is HUQNCUMDOSTYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-12(3)14(15-5-2)10-9-13-8-6-7-11-16-13/h6-8,11-12,14-15H,4-5,9-10H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine?
N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine has a molecular weight of 220.36 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine is sourced from PubChem (CID 105170568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).