N,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine

C14H24N2O — CID 114235703

IUPACN,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine
SMILESCc1occc1CN(C)C1CCNCC1(C)C
InChIInChI=1S/C14H24N2O/c1-11-12(6-8-17-11)9-16(4)13-5-7-15-10-14(13,2)3/h6,8,13,15H,5,7,9-10H2,1-4H3
InChIKeyYNRARMIVVPJALD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.41
Rot. Bonds3

About N,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine

N,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine (PubChem CID 114235703) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine
PubChem CID114235703
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine
SMILESCc1occc1CN(C)C1CCNCC1(C)C
InChIInChI=1S/C14H24N2O/c1-11-12(6-8-17-11)9-16(4)13-5-7-15-10-14(13,2)3/h6,8,13,15H,5,7,9-10H2,1-4H3
InChIKeyYNRARMIVVPJALD-UHFFFAOYSA-N
XLogP2.41
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine?
The IUPAC name of N,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine (CID 114235703) is N,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for N,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine is Cc1occc1CN(C)C1CCNCC1(C)C.
What is the InChIKey of N,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine?
The InChIKey is YNRARMIVVPJALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-12(6-8-17-11)9-16(4)13-5-7-15-10-14(13,2)3/h6,8,13,15H,5,7,9-10H2,1-4H3.
What are the key properties of N,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine?
N,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 114235703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).