3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine

C16H34N2 — CID 83143298

IUPAC3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine
SMILESCCCNC1CCN(CC(C)C(C)(C)C)CC1C
InChIInChI=1S/C16H34N2/c1-7-9-17-15-8-10-18(11-13(15)2)12-14(3)16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyYGJRRFKPGBEUAG-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.38
Rot. Bonds5

About 3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine

3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine (PubChem CID 83143298) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine
PubChem CID83143298
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine
SMILESCCCNC1CCN(CC(C)C(C)(C)C)CC1C
InChIInChI=1S/C16H34N2/c1-7-9-17-15-8-10-18(11-13(15)2)12-14(3)16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyYGJRRFKPGBEUAG-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine
CID 114499538
3-methyl-1-(7-methyloctyl)-N-propylpiperidin-4-amine
CID 107815366
3-methyl-1-[(3-methylcyclopentyl)methyl]-N-propylpiperidin-4-amine
CID 107413462
1-(2-cyclopentyloxyethyl)-3-methyl-N-propylpiperidin-4-amine
CID 63828595
1-cyclohexyl-3-methyl-N-propylpiperidin-4-amine
CID 54975332
N-cyclopropyl-3-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide
CID 114499450
1-(furan-2-ylmethyl)-3-methyl-N-propylpiperidin-4-amine
CID 54975277
3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol
CID 114507604
3-methyl-1-[(5-methylpyrazin-2-yl)methyl]-N-propylpiperidin-4-amine
CID 62845926
[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol
CID 83146581
[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine
CID 83144621
1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-methylpropan-2-ol
CID 114499279

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine?
The IUPAC name of 3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine (CID 83143298) is 3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine?
The canonical SMILES for 3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine is CCCNC1CCN(CC(C)C(C)(C)C)CC1C.
What is the InChIKey of 3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine?
The InChIKey is YGJRRFKPGBEUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-9-17-15-8-10-18(11-13(15)2)12-14(3)16(4,5)6/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine?
3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine has a molecular weight of 254.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine is sourced from PubChem (CID 83143298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).