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

C10H18N2S — CID 60840868

IUPAC1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
SMILESCC(N)CCN(C)Cc1ccsc1
InChIInChI=1S/C10H18N2S/c1-9(11)3-5-12(2)7-10-4-6-13-8-10/h4,6,8-9H,3,5,7,11H2,1-2H3
InChIKeyKRZKLBCYYUUUFQ-UHFFFAOYSA-N
MW198.34 g/mol
LogP1.92
Rot. Bonds5

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

1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine (PubChem CID 60840868) has the molecular formula C10H18N2S and a molecular weight of 198.34 g/mol. Its IUPAC name is 1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
PubChem CID60840868
Molecular FormulaC10H18N2S
Molecular Weight198.34 g/mol
Exact Mass198.12
IUPAC Name1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
SMILESCC(N)CCN(C)Cc1ccsc1
InChIInChI=1S/C10H18N2S/c1-9(11)3-5-12(2)7-10-4-6-13-8-10/h4,6,8-9H,3,5,7,11H2,1-2H3
InChIKeyKRZKLBCYYUUUFQ-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol
CID 62624282
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62643783
1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
CID 115199470
N-ethyl-N'-methyl-1-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612447
1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol
CID 62622929
1-N,4,4-trimethyl-3-N-propyl-1-N-(thiophen-3-ylmethyl)pentane-1,3-diamine
CID 55098279
3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 64996092
6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737759
3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide
CID 43528289
3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 81101740

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine (CID 60840868) is 1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine is CC(N)CCN(C)Cc1ccsc1.
What is the InChIKey of 1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
The InChIKey is KRZKLBCYYUUUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-9(11)3-5-12(2)7-10-4-6-13-8-10/h4,6,8-9H,3,5,7,11H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine has a molecular weight of 198.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 60840868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).