1-pyridin-3-ylhexan-3-amine

C11H18N2 — CID 64506028

IUPAC1-pyridin-3-ylhexan-3-amine
SMILESCCCC(N)CCc1cccnc1
InChIInChI=1S/C11H18N2/c1-2-4-11(12)7-6-10-5-3-8-13-9-10/h3,5,8-9,11H,2,4,6-7,12H2,1H3
InChIKeyOSEPMMIBXLAPIR-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.14
Rot. Bonds5

About 1-pyridin-3-ylhexan-3-amine

1-pyridin-3-ylhexan-3-amine (PubChem CID 64506028) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-pyridin-3-ylhexan-3-amine.

Molecular Properties

Compound Name1-pyridin-3-ylhexan-3-amine
PubChem CID64506028
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-pyridin-3-ylhexan-3-amine
SMILESCCCC(N)CCc1cccnc1
InChIInChI=1S/C11H18N2/c1-2-4-11(12)7-6-10-5-3-8-13-9-10/h3,5,8-9,11H,2,4,6-7,12H2,1H3
InChIKeyOSEPMMIBXLAPIR-UHFFFAOYSA-N
XLogP2.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127244
1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105101899
(4-methyl-1-pyridin-3-ylheptan-3-yl)hydrazine
CID 107895879
1-pyridin-4-ylhexan-3-amine
CID 105080578
(3R)-1-phenylhexan-3-amine
CID 66612996
4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121222
1-pyridin-3-ylundecan-2-amine
CID 62603230
3-(4-bromoheptyl)pyridine
CID 104737066
1-cyclopentyl-4-pyridin-3-ylbutan-2-amine
CID 105139079
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
3-(9-methyldodecyl)pyridine
CID 91204403
1-(5-bromo-3-pyridinyl)hexan-3-amine
CID 104799822

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylhexan-3-amine?
The IUPAC name of 1-pyridin-3-ylhexan-3-amine (CID 64506028) is 1-pyridin-3-ylhexan-3-amine.
What is the SMILES notation for 1-pyridin-3-ylhexan-3-amine?
The canonical SMILES for 1-pyridin-3-ylhexan-3-amine is CCCC(N)CCc1cccnc1.
What is the InChIKey of 1-pyridin-3-ylhexan-3-amine?
The InChIKey is OSEPMMIBXLAPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-4-11(12)7-6-10-5-3-8-13-9-10/h3,5,8-9,11H,2,4,6-7,12H2,1H3.
What are the key properties of 1-pyridin-3-ylhexan-3-amine?
1-pyridin-3-ylhexan-3-amine has a molecular weight of 178.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylhexan-3-amine is sourced from PubChem (CID 64506028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).