1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine

C13H26N2S — CID 62422981

IUPAC1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine
SMILESCC(CCCNC1CC1)N(C)C1CCSC1
InChIInChI=1S/C13H26N2S/c1-11(4-3-8-14-12-5-6-12)15(2)13-7-9-16-10-13/h11-14H,3-10H2,1-2H3
InChIKeySQORNNKGAJJRJS-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.34
Rot. Bonds7

About 1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine

1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine (PubChem CID 62422981) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine
PubChem CID62422981
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine
SMILESCC(CCCNC1CC1)N(C)C1CCSC1
InChIInChI=1S/C13H26N2S/c1-11(4-3-8-14-12-5-6-12)15(2)13-7-9-16-10-13/h11-14H,3-10H2,1-2H3
InChIKeySQORNNKGAJJRJS-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidine
CID 11041899
N-(3-fluoropropyl)-5-methylthiolan-3-amine
CID 130503804
2-[Bis(ethylsulfanyl)methyl]pyrrolidine
CID 14110351
N-butylthiolan-3-amine
CID 20436219
N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655873
N,N-dimethyl-1-(4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655878
2-[[(2R)-1-methylpyrrolidin-2-yl]methylsulfanyl]ethanamine
CID 53979036
(5R)-N-ethyl-5-(3-propan-2-ylsulfanylpropyl)thiolan-3-amine
CID 54040584
N,5-diethylthiolan-3-amine
CID 57106246
N-ethyl-5-propylthiolan-3-amine
CID 57113299
5-methyl-N-(2-methylpropyl)thiolan-3-amine
CID 57201026
2-methyl-N-(thiolan-2-ylmethyl)propan-2-amine
CID 58109886

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine (CID 62422981) is 1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine is CC(CCCNC1CC1)N(C)C1CCSC1.
What is the InChIKey of 1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine?
The InChIKey is SQORNNKGAJJRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-11(4-3-8-14-12-5-6-12)15(2)13-7-9-16-10-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine?
1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine has a molecular weight of 242.43 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine is sourced from PubChem (CID 62422981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).