N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine

C14H24N2O — CID 115118379

IUPACN-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine
SMILESCc1ccc(C(C)(C)CNC2CCCNC2)o1
InChIInChI=1S/C14H24N2O/c1-11-6-7-13(17-11)14(2,3)10-16-12-5-4-8-15-9-12/h6-7,12,15-16H,4-5,8-10H2,1-3H3
InChIKeyHHLWGJZXAKBDED-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.21
Rot. Bonds4

About N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine

N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine (PubChem CID 115118379) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine
PubChem CID115118379
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine
SMILESCc1ccc(C(C)(C)CNC2CCCNC2)o1
InChIInChI=1S/C14H24N2O/c1-11-6-7-13(17-11)14(2,3)10-16-12-5-4-8-15-9-12/h6-7,12,15-16H,4-5,8-10H2,1-3H3
InChIKeyHHLWGJZXAKBDED-UHFFFAOYSA-N
XLogP2.21
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol
CID 115149649
2,2-dimethyl-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-4-amine
CID 115145653
N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine
CID 115118284
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine
CID 115118368
N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine
CID 115119164
N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidine-2-carboxamide
CID 115159844
5-methyl-N-piperidin-3-ylfuran-2-carboxamide
CID 43603726
N-(2-ethoxy-2-methylpropyl)piperidin-3-amine
CID 114941103
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine
CID 65246088
2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine
CID 115136377
N-ethylpiperidin-3-amine
CID 21278340

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine?
The IUPAC name of N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine (CID 115118379) is N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine.
What is the SMILES notation for N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine?
The canonical SMILES for N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine is Cc1ccc(C(C)(C)CNC2CCCNC2)o1.
What is the InChIKey of N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine?
The InChIKey is HHLWGJZXAKBDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-6-7-13(17-11)14(2,3)10-16-12-5-4-8-15-9-12/h6-7,12,15-16H,4-5,8-10H2,1-3H3.
What are the key properties of N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine?
N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine is sourced from PubChem (CID 115118379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).