N-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine

C16H28N2O — CID 62259646

IUPACN-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)Cc2ccoc2)CCCC1
InChIInChI=1S/C16H28N2O/c1-14(2)17-12-16(7-4-5-8-16)13-18(3)10-15-6-9-19-11-15/h6,9,11,14,17H,4-5,7-8,10,12-13H2,1-3H3
InChIKeyUHVODBXAEBYSQU-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.27
Rot. Bonds7

About N-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine

N-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 62259646) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
PubChem CID62259646
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)Cc2ccoc2)CCCC1
InChIInChI=1S/C16H28N2O/c1-14(2)17-12-16(7-4-5-8-16)13-18(3)10-15-6-9-19-11-15/h6,9,11,14,17H,4-5,7-8,10,12-13H2,1-3H3
InChIKeyUHVODBXAEBYSQU-UHFFFAOYSA-N
XLogP3.27
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine (CID 62259646) is N-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine is CC(C)NCC1(CN(C)Cc2ccoc2)CCCC1.
What is the InChIKey of N-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is UHVODBXAEBYSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14(2)17-12-16(7-4-5-8-16)13-18(3)10-15-6-9-19-11-15/h6,9,11,14,17H,4-5,7-8,10,12-13H2,1-3H3.
What are the key properties of N-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine?
N-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 62259646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).