1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine

C13H22N2S — CID 62420794

IUPAC1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
SMILESCC(CCNC1CC1)N(C)Cc1cccs1
InChIInChI=1S/C13H22N2S/c1-11(7-8-14-12-5-6-12)15(2)10-13-4-3-9-16-13/h3-4,9,11-12,14H,5-8,10H2,1-2H3
InChIKeyYXLWMDAJARCEKN-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.71
Rot. Bonds7

About 1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine

1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine (PubChem CID 62420794) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
PubChem CID62420794
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
SMILESCC(CCNC1CC1)N(C)Cc1cccs1
InChIInChI=1S/C13H22N2S/c1-11(7-8-14-12-5-6-12)15(2)10-13-4-3-9-16-13/h3-4,9,11-12,14H,5-8,10H2,1-2H3
InChIKeyYXLWMDAJARCEKN-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010
1-N-cyclopropyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55072330
4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine
CID 114763468
4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine
CID 114763470
1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 79494865
N-[[5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 79490603
1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568174
N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494562
N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62412914
2-(cyclopropylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 54946285
4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 65023554

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine (CID 62420794) is 1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine is CC(CCNC1CC1)N(C)Cc1cccs1.
What is the InChIKey of 1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine?
The InChIKey is YXLWMDAJARCEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11(7-8-14-12-5-6-12)15(2)10-13-4-3-9-16-13/h3-4,9,11-12,14H,5-8,10H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine?
1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine has a molecular weight of 238.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 62420794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).