N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine

C17H28N2O — CID 103503329

IUPACN-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)C1CCN(Cc2ccoc2CNC2CC2)CC1
InChIInChI=1S/C17H28N2O/c1-13(2)14-5-8-19(9-6-14)12-15-7-10-20-17(15)11-18-16-3-4-16/h7,10,13-14,16,18H,3-6,8-9,11-12H2,1-2H3
InChIKeyPECHAOUCBATBGI-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.40
Rot. Bonds6

About N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine

N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 103503329) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID103503329
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)C1CCN(Cc2ccoc2CNC2CC2)CC1
InChIInChI=1S/C17H28N2O/c1-13(2)14-5-8-19(9-6-14)12-15-7-10-20-17(15)11-18-16-3-4-16/h7,10,13-14,16,18H,3-6,8-9,11-12H2,1-2H3
InChIKeyPECHAOUCBATBGI-UHFFFAOYSA-N
XLogP3.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4,4-diethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63163443
N-[[3-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63626130
N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62411236
N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 114540153
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62440081
N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 62434248
N-[[3-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55075068
1-[3-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413262
N-[[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62413363
N-[[2-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62417291
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 114540016

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (CID 103503329) is N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is CC(C)C1CCN(Cc2ccoc2CNC2CC2)CC1.
What is the InChIKey of N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is PECHAOUCBATBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)14-5-8-19(9-6-14)12-15-7-10-20-17(15)11-18-16-3-4-16/h7,10,13-14,16,18H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 276.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103503329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).