N'-cyclopentyl-N'-(furan-2-ylmethyl)propane-1,3-diamine

C13H22N2O — CID 2981024

IUPACN'-cyclopentyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
SMILESNCCCN(Cc1ccco1)C1CCCC1
InChIInChI=1S/C13H22N2O/c14-8-4-9-15(12-5-1-2-6-12)11-13-7-3-10-16-13/h3,7,10,12H,1-2,4-6,8-9,11,14H2
InChIKeyQJLUAFKAADLDRO-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.37
Rot. Bonds6

About N'-cyclopentyl-N'-(furan-2-ylmethyl)propane-1,3-diamine

N'-cyclopentyl-N'-(furan-2-ylmethyl)propane-1,3-diamine (PubChem CID 2981024) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-cyclopentyl-N'-(furan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
PubChem CID2981024
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-cyclopentyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
SMILESNCCCN(Cc1ccco1)C1CCCC1
InChIInChI=1S/C13H22N2O/c14-8-4-9-15(12-5-1-2-6-12)11-13-7-3-10-16-13/h3,7,10,12H,1-2,4-6,8-9,11,14H2
InChIKeyQJLUAFKAADLDRO-UHFFFAOYSA-N
XLogP2.37
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-(furan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N'-(furan-2-ylmethyl)propane-1,3-diamine (CID 2981024) is N'-cyclopentyl-N'-(furan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-(furan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N'-(furan-2-ylmethyl)propane-1,3-diamine is NCCCN(Cc1ccco1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-(furan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is QJLUAFKAADLDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-8-4-9-15(12-5-1-2-6-12)11-13-7-3-10-16-13/h3,7,10,12H,1-2,4-6,8-9,11,14H2.
What are the key properties of N'-cyclopentyl-N'-(furan-2-ylmethyl)propane-1,3-diamine?
N'-cyclopentyl-N'-(furan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-(furan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 2981024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).