N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

C15H24N2S — CID 62412914

IUPACN,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCC(CNC1CC1)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C15H24N2S/c1-12(9-16-13-4-5-13)10-17(14-6-7-14)11-15-3-2-8-18-15/h2-3,8,12-14,16H,4-7,9-11H2,1H3
InChIKeyKSJGGDDWTFMHMZ-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.10
Rot. Bonds8

About N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 62412914) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID62412914
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCC(CNC1CC1)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C15H24N2S/c1-12(9-16-13-4-5-13)10-17(14-6-7-14)11-15-3-2-8-18-15/h2-3,8,12-14,16H,4-7,9-11H2,1H3
InChIKeyKSJGGDDWTFMHMZ-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 113440590
1-N-cyclopropyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55072330
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568174
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 61449280
N,N'-dicyclopropyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62429720
1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 62420794
1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 79494865
N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61449596
N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511
N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine
CID 112570087

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 62412914) is N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is CC(CNC1CC1)CN(Cc1cccs1)C1CC1.
What is the InChIKey of N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is KSJGGDDWTFMHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-12(9-16-13-4-5-13)10-17(14-6-7-14)11-15-3-2-8-18-15/h2-3,8,12-14,16H,4-7,9-11H2,1H3.
What are the key properties of N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 264.44 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62412914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).