2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine

C13H22N2S — CID 62569378

IUPAC2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCC(CNCc1cccs1)N(C)CC1CC1
InChIInChI=1S/C13H22N2S/c1-11(15(2)10-12-5-6-12)8-14-9-13-4-3-7-16-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3
InChIKeySCUNODHIHWQNBZ-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.57
Rot. Bonds7

About 2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine

2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine (PubChem CID 62569378) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
PubChem CID62569378
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCC(CNCc1cccs1)N(C)CC1CC1
InChIInChI=1S/C13H22N2S/c1-11(15(2)10-12-5-6-12)8-14-9-13-4-3-7-16-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3
InChIKeySCUNODHIHWQNBZ-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568611
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79312950
2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79494883
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569948
2-N-methyl-2-N-(2-propan-2-yloxyethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 81068790
2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62569823
2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55087404
N'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62555373
2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62570531
2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 103503524
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine (CID 62569378) is 2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine is CC(CNCc1cccs1)N(C)CC1CC1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The InChIKey is SCUNODHIHWQNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11(15(2)10-12-5-6-12)8-14-9-13-4-3-7-16-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3.
What are the key properties of 2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine has a molecular weight of 238.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62569378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).