N'-[2-(naphthalen-2-ylsulfanylamino)ethyl]ethane-1,2-diamine;propane

C17H27N3S — CID 145307768

IUPACN'-[2-(naphthalen-2-ylsulfanylamino)ethyl]ethane-1,2-diamine;propane
SMILESCCC.NCCNCCNSc1ccc2ccccc2c1
InChIInChI=1S/C14H19N3S.C3H8/c15-7-8-16-9-10-17-18-14-6-5-12-3-1-2-4-13(12)11-14;1-3-2/h1-6,11,16-17H,7-10,15H2;3H2,1-2H3
InChIKeyCYXPEEKJTHUBNZ-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.40
Rot. Bonds7

About N'-[2-(naphthalen-2-ylsulfanylamino)ethyl]ethane-1,2-diamine;propane

N'-[2-(naphthalen-2-ylsulfanylamino)ethyl]ethane-1,2-diamine;propane (PubChem CID 145307768) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is N'-[2-(naphthalen-2-ylsulfanylamino)ethyl]ethane-1,2-diamine;propane.

Molecular Properties

Compound NameN'-[2-(naphthalen-2-ylsulfanylamino)ethyl]ethane-1,2-diamine;propane
PubChem CID145307768
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC NameN'-[2-(naphthalen-2-ylsulfanylamino)ethyl]ethane-1,2-diamine;propane
SMILESCCC.NCCNCCNSc1ccc2ccccc2c1
InChIInChI=1S/C14H19N3S.C3H8/c15-7-8-16-9-10-17-18-14-6-5-12-3-1-2-4-13(12)11-14;1-3-2/h1-6,11,16-17H,7-10,15H2;3H2,1-2H3
InChIKeyCYXPEEKJTHUBNZ-UHFFFAOYSA-N
XLogP3.40
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-N-[2-(naphthalen-2-ylsulfanylamino)ethyl]pentane-1,2-diamine
CID 145307793
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene
CID 70451906
naphthalene-2-thiol;propan-1-amine
CID 162435108
N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 11708797
N-naphthalen-2-ylsulfanyl-4-oxopentanamide
CID 177187621
2-methyl-N-naphthalen-2-ylsulfanylaniline
CID 20604856
N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 11741534
N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine
CID 59231415
2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine
CID 141169012
N'-naphthalen-2-ylhexane-1,6-diamine
CID 83955962
N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine
CID 2299864
ethanamine;naphthalene-2-carbaldehyde
CID 143882987

Frequently Asked Questions

What is the IUPAC name of N'-[2-(naphthalen-2-ylsulfanylamino)ethyl]ethane-1,2-diamine;propane?
The IUPAC name of N'-[2-(naphthalen-2-ylsulfanylamino)ethyl]ethane-1,2-diamine;propane (CID 145307768) is N'-[2-(naphthalen-2-ylsulfanylamino)ethyl]ethane-1,2-diamine;propane.
What is the SMILES notation for N'-[2-(naphthalen-2-ylsulfanylamino)ethyl]ethane-1,2-diamine;propane?
The canonical SMILES for N'-[2-(naphthalen-2-ylsulfanylamino)ethyl]ethane-1,2-diamine;propane is CCC.NCCNCCNSc1ccc2ccccc2c1.
What is the InChIKey of N'-[2-(naphthalen-2-ylsulfanylamino)ethyl]ethane-1,2-diamine;propane?
The InChIKey is CYXPEEKJTHUBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S.C3H8/c15-7-8-16-9-10-17-18-14-6-5-12-3-1-2-4-13(12)11-14;1-3-2/h1-6,11,16-17H,7-10,15H2;3H2,1-2H3.
What are the key properties of N'-[2-(naphthalen-2-ylsulfanylamino)ethyl]ethane-1,2-diamine;propane?
N'-[2-(naphthalen-2-ylsulfanylamino)ethyl]ethane-1,2-diamine;propane has a molecular weight of 305.49 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(naphthalen-2-ylsulfanylamino)ethyl]ethane-1,2-diamine;propane is sourced from PubChem (CID 145307768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).