N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine

C17H28N2O — CID 43181240

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C17H28N2O/c1-14-7-2-3-8-15(14)18-13-16(17-9-6-12-20-17)19-10-4-5-11-19/h6,9,12,14-16,18H,2-5,7-8,10-11,13H2,1H3
InChIKeyTVNBENADAAUKCC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.58
Rot. Bonds5

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine (PubChem CID 43181240) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine
PubChem CID43181240
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C17H28N2O/c1-14-7-2-3-8-15(14)18-13-16(17-9-6-12-20-17)19-10-4-5-11-19/h6,9,12,14-16,18H,2-5,7-8,10-11,13H2,1H3
InChIKeyTVNBENADAAUKCC-UHFFFAOYSA-N
XLogP3.58
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723807
4-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclohexane-1,4-diamine
CID 79724195
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylpyrrolidin-3-amine
CID 62975040
1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine
CID 43181238
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine
CID 65070997
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methoxycyclobutan-1-amine
CID 104870773
N-(cyclopropylmethyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43654889
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine
CID 84587836
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111008677
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine (CID 43181240) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine is CC1CCCCC1NCC(c1ccco1)N1CCCC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine?
The InChIKey is TVNBENADAAUKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-7-2-3-8-15(14)18-13-16(17-9-6-12-20-17)19-10-4-5-11-19/h6,9,12,14-16,18H,2-5,7-8,10-11,13H2,1H3.
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 43181240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).