N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine

C16H34N2 — CID 55070235

IUPACN-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine
SMILESCC1CC(C)CN(CCCCCNC(C)(C)C)C1
InChIInChI=1S/C16H34N2/c1-14-11-15(2)13-18(12-14)10-8-6-7-9-17-16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeyAKQUPKITAKWCBB-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds6

About N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine

N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine (PubChem CID 55070235) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine
PubChem CID55070235
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine
SMILESCC1CC(C)CN(CCCCCNC(C)(C)C)C1
InChIInChI=1S/C16H34N2/c1-14-11-15(2)13-18(12-14)10-8-6-7-9-17-16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeyAKQUPKITAKWCBB-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-4-(3,4-dimethylpyrrolidin-1-yl)butan-1-amine
CID 79184508
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
CID 60851499
1-(9-bromononyl)-3,5-dimethylpiperidine
CID 105343565
6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796258
N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine
CID 164817602
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
N-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine
CID 114087794
1-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-2-methylguanidine
CID 124841464
N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238299
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-tert-butylhexan-1-amine
CID 79945206
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine
CID 63609125
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120987

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine (CID 55070235) is N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine is CC1CC(C)CN(CCCCCNC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine?
The InChIKey is AKQUPKITAKWCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-14-11-15(2)13-18(12-14)10-8-6-7-9-17-16(3,4)5/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine?
N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine is sourced from PubChem (CID 55070235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).