N-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine

C16H32N2S2 — CID 130246594

IUPACN-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine
SMILESCCCN(SSN(CCC)C1CCCC1)C1CCCC1
InChIInChI=1S/C16H32N2S2/c1-3-13-17(15-9-5-6-10-15)19-20-18(14-4-2)16-11-7-8-12-16/h15-16H,3-14H2,1-2H3
InChIKeyZSVNGOIXPQBSIS-UHFFFAOYSA-N
MW316.58 g/mol
LogP5.51
Rot. Bonds9

About N-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine

N-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine (PubChem CID 130246594) has the molecular formula C16H32N2S2 and a molecular weight of 316.58 g/mol. Its IUPAC name is N-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine.

Molecular Properties

Compound NameN-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine
PubChem CID130246594
Molecular FormulaC16H32N2S2
Molecular Weight316.58 g/mol
Exact Mass316.20
IUPAC NameN-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine
SMILESCCCN(SSN(CCC)C1CCCC1)C1CCCC1
InChIInChI=1S/C16H32N2S2/c1-3-13-17(15-9-5-6-10-15)19-20-18(14-4-2)16-11-7-8-12-16/h15-16H,3-14H2,1-2H3
InChIKeyZSVNGOIXPQBSIS-UHFFFAOYSA-N
XLogP5.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.58
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine 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

N,N-dipropylcyclodecanamine
CID 139723962
1-cyclopentyl-1-propylhydrazine
CID 90722270
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740
N-butyl-N-propylcyclohexanamine
CID 15751893
N-cyclohexyl-N-methyl-N',N'-dipropylethane-1,2-diamine
CID 54810081
N'-cyclohexyl-N'-propylethane-1,2-diamine
CID 61348599
[cyclohexyl(ethyl)amino]sulfanylmethanethiol
CID 130247158
N-cyclohexyl-N-propylazetidin-3-amine
CID 66183284
4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine
CID 79111561
N-bis[cyclopropyl(propyl)amino]alumanyl-N-propylcyclopropanamine
CID 140655995
N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine
CID 82932420
N-cyclohexyl-N-propylformamide;methanamine
CID 145331929

Frequently Asked Questions

What is the IUPAC name of N-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine?
The IUPAC name of N-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine (CID 130246594) is N-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine.
What is the SMILES notation for N-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine?
The canonical SMILES for N-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine is CCCN(SSN(CCC)C1CCCC1)C1CCCC1.
What is the InChIKey of N-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine?
The InChIKey is ZSVNGOIXPQBSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S2/c1-3-13-17(15-9-5-6-10-15)19-20-18(14-4-2)16-11-7-8-12-16/h15-16H,3-14H2,1-2H3.
What are the key properties of N-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine?
N-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine has a molecular weight of 316.58 g/mol, XLogP of 5.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine is sourced from PubChem (CID 130246594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).