2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine

C13H28N2OS — CID 55004208

IUPAC2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
SMILESCOCCN(C(CN)CCSC)C(C)C1CC1
InChIInChI=1S/C13H28N2OS/c1-11(12-4-5-12)15(7-8-16-2)13(10-14)6-9-17-3/h11-13H,4-10,14H2,1-3H3
InChIKeyNANPKLZOPCYNME-UHFFFAOYSA-N
MW260.45 g/mol
LogP1.81
Rot. Bonds10

About 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine

2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine (PubChem CID 55004208) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
PubChem CID55004208
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
SMILESCOCCN(C(CN)CCSC)C(C)C1CC1
InChIInChI=1S/C13H28N2OS/c1-11(12-4-5-12)15(7-8-16-2)13(10-14)6-9-17-3/h11-13H,4-10,14H2,1-3H3
InChIKeyNANPKLZOPCYNME-UHFFFAOYSA-N
XLogP1.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-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

Related Compounds

2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine
CID 116504058
2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 61453540
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide
CID 66429028
4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine
CID 62462719
3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid
CID 64694814
2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine
CID 83054207
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine
CID 81079207
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide
CID 63583142
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylpentane-1,5-diamine
CID 82016982
2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 60810845
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine
CID 103088754
1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 66472244

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine?
The IUPAC name of 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine (CID 55004208) is 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine?
The canonical SMILES for 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine is COCCN(C(CN)CCSC)C(C)C1CC1.
What is the InChIKey of 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine?
The InChIKey is NANPKLZOPCYNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-11(12-4-5-12)15(7-8-16-2)13(10-14)6-9-17-3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine?
2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine has a molecular weight of 260.45 g/mol, XLogP of 1.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine is sourced from PubChem (CID 55004208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).