2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine

C10H22N2S — CID 116504161

IUPAC2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine
SMILESCCSCCC(CN)NCC1CC1
InChIInChI=1S/C10H22N2S/c1-2-13-6-5-10(7-11)12-8-9-3-4-9/h9-10,12H,2-8,11H2,1H3
InChIKeyKRZLZVOYFQWJFU-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.46
Rot. Bonds8

About 2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine

2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine (PubChem CID 116504161) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine
PubChem CID116504161
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine
SMILESCCSCCC(CN)NCC1CC1
InChIInChI=1S/C10H22N2S/c1-2-13-6-5-10(7-11)12-8-9-3-4-9/h9-10,12H,2-8,11H2,1H3
InChIKeyKRZLZVOYFQWJFU-UHFFFAOYSA-N
XLogP1.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethylsulfanyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 116504175
2-N-(cyclopropylmethyl)hexane-1,2-diamine
CID 65384187
2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol
CID 116504150
2-N-(2,2-difluoroethyl)-4-ethylsulfanylbutane-1,2-diamine
CID 116504214
N-(cyclopropylmethyl)-2-ethylsulfanylethanamine
CID 62578386
2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine
CID 103389347
2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine
CID 103089081
4-ethylsulfanylbutane-1,2-diamine
CID 116503979
2-N-(cyclopropylmethyl)-1-N-ethyl-1-N-methylbutane-1,2-diamine
CID 167503112
2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 104668516
4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 62065657
4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 103531652

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine (CID 116504161) is 2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine is CCSCCC(CN)NCC1CC1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine?
The InChIKey is KRZLZVOYFQWJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-2-13-6-5-10(7-11)12-8-9-3-4-9/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine?
2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine has a molecular weight of 202.37 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine is sourced from PubChem (CID 116504161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).