1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine

C14H30N2 — CID 103461877

IUPAC1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC(C)(C)CC)CC1
InChIInChI=1S/C14H30N2/c1-5-9-15-13-7-10-16(11-8-13)12-14(3,4)6-2/h13,15H,5-12H2,1-4H3
InChIKeyCNEBEYSSRUOZLS-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds6

About 1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine

1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine (PubChem CID 103461877) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine
PubChem CID103461877
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC(C)(C)CC)CC1
InChIInChI=1S/C14H30N2/c1-5-9-15-13-7-10-16(11-8-13)12-14(3,4)6-2/h13,15H,5-12H2,1-4H3
InChIKeyCNEBEYSSRUOZLS-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine
CID 103461871
N-cyclopropyl-1-(2,2-dimethylbutyl)pyrrolidin-3-amine
CID 103465025
2-[4-(propylamino)piperidin-1-yl]ethanol
CID 60818603
1-(2-cyclopentylethyl)-N-propylpiperidin-4-amine
CID 54932891
N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine
CID 62257753
1-(2-methylbutyl)-N-propylpiperidin-4-amine
CID 62105656
1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen
CID 178010321
1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine
CID 114113900
2-methyl-4-[(1-propylpiperidin-4-yl)amino]butan-2-ol
CID 79361096
1-(oxan-4-yl)-N-propylpiperidin-4-amine
CID 43610262
1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine
CID 107164155
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine (CID 103461877) is 1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine is CCCNC1CCN(CC(C)(C)CC)CC1.
What is the InChIKey of 1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine?
The InChIKey is CNEBEYSSRUOZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-9-15-13-7-10-16(11-8-13)12-14(3,4)6-2/h13,15H,5-12H2,1-4H3.
What are the key properties of 1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine?
1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 103461877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).