5-butylpyridin-3-amine;ethane;molecular hydrogen

C11H22N2 — CID 164917001

IUPAC5-butylpyridin-3-amine;ethane;molecular hydrogen
SMILESCC.CCCCc1cncc(N)c1.[H][H]
InChIInChI=1S/C9H14N2.C2H6.H2/c1-2-3-4-8-5-9(10)7-11-6-8;1-2;/h5-7H,2-4,10H2,1H3;1-2H3;1H
InChIKeyDRNPVOHAYLDTPE-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.28
Rot. Bonds3

About 5-butylpyridin-3-amine;ethane;molecular hydrogen

5-butylpyridin-3-amine;ethane;molecular hydrogen (PubChem CID 164917001) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-butylpyridin-3-amine;ethane;molecular hydrogen.

Molecular Properties

Compound Name5-butylpyridin-3-amine;ethane;molecular hydrogen
PubChem CID164917001
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name5-butylpyridin-3-amine;ethane;molecular hydrogen
SMILESCC.CCCCc1cncc(N)c1.[H][H]
InChIInChI=1S/C9H14N2.C2H6.H2/c1-2-3-4-8-5-9(10)7-11-6-8;1-2;/h5-7H,2-4,10H2,1H3;1-2H3;1H
InChIKeyDRNPVOHAYLDTPE-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-5-ethenylpyridine
CID 18679137
3-chloro-5-octylpyridine
CID 138579116
3-chloro-5-pentylpyridine
CID 59945518
5-(2-methylpropyl)pyridin-3-amine
CID 82417429
5-decylbenzene-1,3-diamine
CID 134222532
tert-butyl N-[3-(5-amino-3-pyridinyl)propyl]carbamate
CID 122510246
5-butyl-N-methylpyridine-3-sulfonamide
CID 173100963
5-octoxypyridin-3-amine
CID 104536057
5-N-decylpyridine-3,5-diamine
CID 104535317
3-pentylaniline
CID 19911390
6-butylpyrazin-2-amine
CID 89087055
3-(2,2-dimethylpropyl)-5-propylpyridine
CID 129191291

Frequently Asked Questions

What is the IUPAC name of 5-butylpyridin-3-amine;ethane;molecular hydrogen?
The IUPAC name of 5-butylpyridin-3-amine;ethane;molecular hydrogen (CID 164917001) is 5-butylpyridin-3-amine;ethane;molecular hydrogen.
What is the SMILES notation for 5-butylpyridin-3-amine;ethane;molecular hydrogen?
The canonical SMILES for 5-butylpyridin-3-amine;ethane;molecular hydrogen is CC.CCCCc1cncc(N)c1.[H][H].
What is the InChIKey of 5-butylpyridin-3-amine;ethane;molecular hydrogen?
The InChIKey is DRNPVOHAYLDTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6.H2/c1-2-3-4-8-5-9(10)7-11-6-8;1-2;/h5-7H,2-4,10H2,1H3;1-2H3;1H.
What are the key properties of 5-butylpyridin-3-amine;ethane;molecular hydrogen?
5-butylpyridin-3-amine;ethane;molecular hydrogen has a molecular weight of 182.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylpyridin-3-amine;ethane;molecular hydrogen is sourced from PubChem (CID 164917001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).