3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine

C16H27N3 — CID 107401430

IUPAC3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN(CC)CC1CCC1
InChIInChI=1S/C16H27N3/c1-3-10-17-16-15(9-6-11-18-16)13-19(4-2)12-14-7-5-8-14/h6,9,11,14H,3-5,7-8,10,12-13H2,1-2H3,(H,17,18)
InChIKeyZRCDMUVNGZAZGO-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.53
Rot. Bonds8

About 3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine

3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 107401430) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID107401430
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN(CC)CC1CCC1
InChIInChI=1S/C16H27N3/c1-3-10-17-16-15(9-6-11-18-16)13-19(4-2)12-14-7-5-8-14/h6,9,11,14H,3-5,7-8,10,12-13H2,1-2H3,(H,17,18)
InChIKeyZRCDMUVNGZAZGO-UHFFFAOYSA-N
XLogP3.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine
CID 63956312
3-[[ethyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62471154
3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469637
3-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62469605
2-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 102870532
3-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 63633007
3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469581
3-[[cyclopropylmethyl(propyl)amino]methyl]-N-methylpyridin-2-amine
CID 62471758
3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine
CID 62464664
2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol
CID 102636827
3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol
CID 102870493
3-(diethylaminomethyl)-N-ethylpyridin-2-amine
CID 62471645

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine (CID 107401430) is 3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1ncccc1CN(CC)CC1CCC1.
What is the InChIKey of 3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is ZRCDMUVNGZAZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-10-17-16-15(9-6-11-18-16)13-19(4-2)12-14-7-5-8-14/h6,9,11,14H,3-5,7-8,10,12-13H2,1-2H3,(H,17,18).
What are the key properties of 3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine?
3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 107401430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).