2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine

C16H28N2O — CID 115145653

IUPAC2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine
SMILESCc1ccc(C(C)(C)CNC2CCNC(C)(C)C2)o1
InChIInChI=1S/C16H28N2O/c1-12-6-7-14(19-12)15(2,3)11-17-13-8-9-18-16(4,5)10-13/h6-7,13,17-18H,8-11H2,1-5H3
InChIKeyQDCGZESMRLUKGG-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.99
Rot. Bonds4

About 2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine

2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine (PubChem CID 115145653) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine
PubChem CID115145653
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine
SMILESCc1ccc(C(C)(C)CNC2CCNC(C)(C)C2)o1
InChIInChI=1S/C16H28N2O/c1-12-6-7-14(19-12)15(2,3)11-17-13-8-9-18-16(4,5)10-13/h6-7,13,17-18H,8-11H2,1-5H3
InChIKeyQDCGZESMRLUKGG-UHFFFAOYSA-N
XLogP2.99
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Furanethylamine, N,N,5-trimethyl-, hydrochloride
CID 38132
Cambridge id 5780707
CID 3692308
(RS)-2-(5-(4-Fluorophenyl)-furan-2-ylmethyl)-piperidine
CID 67157798
(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine
CID 67157799
N-[1-(5-tert-butyl-2-methylfuran-3-yl)ethyl]-3-ethyl-6-(2-fluoro-2-methylbutoxy)octa-3,5,7-trien-2-amine
CID 91159035
trimethyl-[5-[[(2S)-2,4,4-trimethylpyrrolidin-2-yl]methyl]furan-2-yl]silane
CID 102104524
[5-[(4,4-Dimethylpyrrolidin-2-yl)methyl]furan-2-yl]-trimethylsilane
CID 102104526
(2R)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
CID 869903
2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
CID 2261130
(2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
CID 2261131
N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methyl-2-furyl)-2-pentanamine
CID 2867747
2-(3-fluorophenyl)ethyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
CID 5657741

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine?
The IUPAC name of 2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine (CID 115145653) is 2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine is Cc1ccc(C(C)(C)CNC2CCNC(C)(C)C2)o1.
What is the InChIKey of 2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine?
The InChIKey is QDCGZESMRLUKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-6-7-14(19-12)15(2,3)11-17-13-8-9-18-16(4,5)10-13/h6-7,13,17-18H,8-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine?
2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine has a molecular weight of 264.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine is sourced from PubChem (CID 115145653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).