N-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine

C14H26N2O — CID 82835521

IUPACN-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESNCC(NCC(C1CC1)C1CC1)C1CCCO1
InChIInChI=1S/C14H26N2O/c15-8-13(14-2-1-7-17-14)16-9-12(10-3-4-10)11-5-6-11/h10-14,16H,1-9,15H2
InChIKeyWXNOXBPBXRLQAO-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.52
Rot. Bonds7

About N-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine

N-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine (PubChem CID 82835521) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine
PubChem CID82835521
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESNCC(NCC(C1CC1)C1CC1)C1CCCO1
InChIInChI=1S/C14H26N2O/c15-8-13(14-2-1-7-17-14)16-9-12(10-3-4-10)11-5-6-11/h10-14,16H,1-9,15H2
InChIKeyWXNOXBPBXRLQAO-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine (CID 82835521) is N-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine is NCC(NCC(C1CC1)C1CC1)C1CCCO1.
What is the InChIKey of N-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The InChIKey is WXNOXBPBXRLQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c15-8-13(14-2-1-7-17-14)16-9-12(10-3-4-10)11-5-6-11/h10-14,16H,1-9,15H2.
What are the key properties of N-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
N-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine has a molecular weight of 238.37 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82835521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).