N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine

C15H26N2S — CID 65253760

IUPACN'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
SMILESCC(C)(CN)CCCN(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H26N2S/c1-15(2,12-16)7-3-8-17(14-4-5-14)10-13-6-9-18-11-13/h6,9,11,14H,3-5,7-8,10,12,16H2,1-2H3
InChIKeyDVEMGEJECRXFML-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.48
Rot. Bonds8

About N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine

N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine (PubChem CID 65253760) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
PubChem CID65253760
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
SMILESCC(C)(CN)CCCN(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H26N2S/c1-15(2,12-16)7-3-8-17(14-4-5-14)10-13-6-9-18-11-13/h6,9,11,14H,3-5,7-8,10,12,16H2,1-2H3
InChIKeyDVEMGEJECRXFML-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65255298
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 79479893
N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62563786
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide
CID 54965704
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 62435574
3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal
CID 62276426
2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine
CID 63470809
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine (CID 65253760) is N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine is CC(C)(CN)CCCN(Cc1ccsc1)C1CC1.
What is the InChIKey of N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine?
The InChIKey is DVEMGEJECRXFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-15(2,12-16)7-3-8-17(14-4-5-14)10-13-6-9-18-11-13/h6,9,11,14H,3-5,7-8,10,12,16H2,1-2H3.
What are the key properties of N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine?
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine has a molecular weight of 266.45 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 65253760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).