1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine

C13H24N2S — CID 62462705

IUPAC1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
SMILESCCC(CNC)N(Cc1cccs1)C(C)C
InChIInChI=1S/C13H24N2S/c1-5-12(9-14-4)15(11(2)3)10-13-7-6-8-16-13/h6-8,11-12,14H,5,9-10H2,1-4H3
InChIKeyRVBHGFCMQQSDSD-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.96
Rot. Bonds7

About 1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine

1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine (PubChem CID 62462705) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
PubChem CID62462705
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
SMILESCCC(CNC)N(Cc1cccs1)C(C)C
InChIInChI=1S/C13H24N2S/c1-5-12(9-14-4)15(11(2)3)10-13-7-6-8-16-13/h6-8,11-12,14H,5,9-10H2,1-4H3
InChIKeyRVBHGFCMQQSDSD-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62463060
1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 79408522
2-N-ethyl-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463283
3-methoxy-2-N-propan-2-yl-1-N-propyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103226159
1-N-(3-methylbutyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55087518
1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62570543
1-N-cyclopropyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55072330
2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103226198
1-N-pentan-2-yl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62567811
1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568174
2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568180
3-[propan-2-yl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61451665

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine (CID 62462705) is 1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine is CCC(CNC)N(Cc1cccs1)C(C)C.
What is the InChIKey of 1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The InChIKey is RVBHGFCMQQSDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-5-12(9-14-4)15(11(2)3)10-13-7-6-8-16-13/h6-8,11-12,14H,5,9-10H2,1-4H3.
What are the key properties of 1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 62462705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).