N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C14H22N2OS — CID 82835500

IUPACN-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCC(C1CCCO1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H22N2OS/c15-9-13(14-4-1-7-17-14)16(11-5-6-11)10-12-3-2-8-18-12/h2-3,8,11,13-14H,1,4-7,9-10,15H2
InChIKeyPUGYVXLPPINHDO-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.22
Rot. Bonds6

About N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 82835500) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID82835500
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCC(C1CCCO1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H22N2OS/c15-9-13(14-4-1-7-17-14)16(11-5-6-11)10-12-3-2-8-18-12/h2-3,8,11,13-14H,1,4-7,9-10,15H2
InChIKeyPUGYVXLPPINHDO-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 82835500) is N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is NCC(C1CCCO1)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is PUGYVXLPPINHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c15-9-13(14-4-1-7-17-14)16(11-5-6-11)10-12-3-2-8-18-12/h2-3,8,11,13-14H,1,4-7,9-10,15H2.
What are the key properties of N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 266.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 82835500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).