N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine

C13H24N2S — CID 62420411

IUPACN,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCC(CNC(C)C)CN(C)Cc1cccs1
InChIInChI=1S/C13H24N2S/c1-11(2)14-8-12(3)9-15(4)10-13-6-5-7-16-13/h5-7,11-12,14H,8-10H2,1-4H3
InChIKeyIWGVTHKLNLKPQP-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.81
Rot. Bonds7

About N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine

N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 62420411) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID62420411
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCC(CNC(C)C)CN(C)Cc1cccs1
InChIInChI=1S/C13H24N2S/c1-11(2)14-8-12(3)9-15(4)10-13-6-5-7-16-13/h5-7,11-12,14H,8-10H2,1-4H3
InChIKeyIWGVTHKLNLKPQP-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 104681857
1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 79476363
1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
CID 43527489
1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 43649767
1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 43650477
(2R)-1-[methyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 129369879
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216
N-[[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62420415
N-ethyl-2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62463231
N-[[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62420414
1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea
CID 115570918
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 62420411) is N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine is CC(CNC(C)C)CN(C)Cc1cccs1.
What is the InChIKey of N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is IWGVTHKLNLKPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-11(2)14-8-12(3)9-15(4)10-13-6-5-7-16-13/h5-7,11-12,14H,8-10H2,1-4H3.
What are the key properties of N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62420411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).