N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine

C15H26N2S — CID 62257620

IUPACN-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
SMILESCC(c1cccs1)N(C)CC(C)(C)CNC1CC1
InChIInChI=1S/C15H26N2S/c1-12(14-6-5-9-18-14)17(4)11-15(2,3)10-16-13-7-8-13/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3
InChIKeyYXMMKHFMIZSILB-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.52
Rot. Bonds7

About N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine

N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine (PubChem CID 62257620) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
PubChem CID62257620
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
SMILESCC(c1cccs1)N(C)CC(C)(C)CNC1CC1
InChIInChI=1S/C15H26N2S/c1-12(14-6-5-9-18-14)17(4)11-15(2,3)10-16-13-7-8-13/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3
InChIKeyYXMMKHFMIZSILB-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 103069890
N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62562744
2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257313
N-[[5-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62430120
N-[[3-methyl-5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431361
N'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43758923
4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 28544170
N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 62259045
N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine
CID 65295773
5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 62281993
N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62555793
N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43079511

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine (CID 62257620) is N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine is CC(c1cccs1)N(C)CC(C)(C)CNC1CC1.
What is the InChIKey of N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine?
The InChIKey is YXMMKHFMIZSILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-12(14-6-5-9-18-14)17(4)11-15(2,3)10-16-13-7-8-13/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3.
What are the key properties of N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine?
N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine has a molecular weight of 266.45 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 62257620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).