N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine

C14H30N2 — CID 60693742

IUPACN-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCCC(C)(C)C)CC1
InChIInChI=1S/C14H30N2/c1-12(2)16-10-6-13(7-11-16)15-9-8-14(3,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyFHJVZCOIAGBOKZ-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds4

About N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine

N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 60693742) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID60693742
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCCC(C)(C)C)CC1
InChIInChI=1S/C14H30N2/c1-12(2)16-10-6-13(7-11-16)15-9-8-14(3,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyFHJVZCOIAGBOKZ-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine
CID 60693743
N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine
CID 60889308
N',N'-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 16773593
N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine
CID 61043784
1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 166963082
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
4-[(1-propan-2-ylpiperidin-4-yl)amino]butan-1-ol
CID 106840759
3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile
CID 28728184
4,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]pentan-2-ol
CID 103784472
N-(3-methylhexyl)-1-propan-2-ylpiperidin-4-amine
CID 139366254
N-(3-methoxypropyl)-1-propan-2-ylpiperidin-4-amine
CID 28673243
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine (CID 60693742) is N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(NCCC(C)(C)C)CC1.
What is the InChIKey of N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is FHJVZCOIAGBOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)16-10-6-13(7-11-16)15-9-8-14(3,4)5/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine?
N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 60693742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).