1-(2-methylbutyl)-N-propylpiperidin-4-amine

C13H28N2 — CID 62105656

IUPAC1-(2-methylbutyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC(C)CC)CC1
InChIInChI=1S/C13H28N2/c1-4-8-14-13-6-9-15(10-7-13)11-12(3)5-2/h12-14H,4-11H2,1-3H3
InChIKeyRKACOJZSNSGLKU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds6

About 1-(2-methylbutyl)-N-propylpiperidin-4-amine

1-(2-methylbutyl)-N-propylpiperidin-4-amine (PubChem CID 62105656) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(2-methylbutyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylbutyl)-N-propylpiperidin-4-amine
PubChem CID62105656
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(2-methylbutyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC(C)CC)CC1
InChIInChI=1S/C13H28N2/c1-4-8-14-13-6-9-15(10-7-13)11-12(3)5-2/h12-14H,4-11H2,1-3H3
InChIKeyRKACOJZSNSGLKU-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen
CID 178010321
1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine
CID 114113900
1-ethoxy-3-[4-(propylamino)piperidin-1-yl]propan-2-ol
CID 63932707
2-[4-(propylamino)piperidin-1-yl]ethanol
CID 60818603
1-ethyl-N-(2-methylbutyl)piperidin-4-amine
CID 61038759
1-(3-methylbutyl)-N-propylpyrrolidin-3-amine
CID 43314968
4-(1-bromoethyl)-1-(2-methylbutyl)piperidine
CID 106838267
N-(2-cyclobutylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914513
1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine
CID 103461877
N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103780918
N-(2-ethoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115709922
1-ethyl-N-(2-methyl-3-piperidin-1-ylpropyl)piperidin-4-amine
CID 54906375

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(2-methylbutyl)-N-propylpiperidin-4-amine (CID 62105656) is 1-(2-methylbutyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(2-methylbutyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(2-methylbutyl)-N-propylpiperidin-4-amine is CCCNC1CCN(CC(C)CC)CC1.
What is the InChIKey of 1-(2-methylbutyl)-N-propylpiperidin-4-amine?
The InChIKey is RKACOJZSNSGLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-8-14-13-6-9-15(10-7-13)11-12(3)5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-(2-methylbutyl)-N-propylpiperidin-4-amine?
1-(2-methylbutyl)-N-propylpiperidin-4-amine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 62105656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).