2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine

C11H24N2S — CID 60810845

IUPAC2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(C(CN)CCSC)C1CC1
InChIInChI=1S/C11H24N2S/c1-3-7-13(10-4-5-10)11(9-12)6-8-14-2/h10-11H,3-9,12H2,1-2H3
InChIKeyOSTVXJKUSVXRJF-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.94
Rot. Bonds8

About 2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine

2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine (PubChem CID 60810845) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine
PubChem CID60810845
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(C(CN)CCSC)C1CC1
InChIInChI=1S/C11H24N2S/c1-3-7-13(10-4-5-10)11(9-12)6-8-14-2/h10-11H,3-9,12H2,1-2H3
InChIKeyOSTVXJKUSVXRJF-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 61453540
2-N-(cyclopropylmethyl)-4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 60710078
2-N-butyl-2-N-cyclopropylhexane-1,2-diamine
CID 61440730
2-N-methyl-2-N-(4-methylcyclohexyl)-4-methylsulfanylbutane-1,2-diamine
CID 61439507
2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine
CID 103088640
4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 114868433
4-amino-3-[cyclopropyl(propyl)amino]-N-propylbutanamide
CID 66426544
2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine
CID 61441066
2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 55004208
2-N-cyclopropyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63465210
N-hexan-3-yl-N-propylcyclopentanamine
CID 130409572
2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 60810848

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine (CID 60810845) is 2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine is CCCN(C(CN)CCSC)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine?
The InChIKey is OSTVXJKUSVXRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-3-7-13(10-4-5-10)11(9-12)6-8-14-2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine?
2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 60810845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).