N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine

C16H32N2O — CID 104746790

IUPACN'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(CC(C)C)C1CCCC1)C1CCOC1
InChIInChI=1S/C16H32N2O/c1-13(2)10-18(15-6-4-5-7-15)11-16(17-3)14-8-9-19-12-14/h13-17H,4-12H2,1-3H3
InChIKeyXYTQRFZBZBJODG-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds7

About N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine

N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 104746790) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID104746790
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(CC(C)C)C1CCCC1)C1CCOC1
InChIInChI=1S/C16H32N2O/c1-13(2)10-18(15-6-4-5-7-15)11-16(17-3)14-8-9-19-12-14/h13-17H,4-12H2,1-3H3
InChIKeyXYTQRFZBZBJODG-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine (CID 104746790) is N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine is CNC(CN(CC(C)C)C1CCCC1)C1CCOC1.
What is the InChIKey of N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is XYTQRFZBZBJODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)10-18(15-6-4-5-7-15)11-16(17-3)14-8-9-19-12-14/h13-17H,4-12H2,1-3H3.
What are the key properties of N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104746790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).