2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine

C14H25N3S — CID 62558327

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)N1CCCN(C)CC1
InChIInChI=1S/C14H25N3S/c1-13(11-15-12-14-5-3-10-18-14)17-7-4-6-16(2)8-9-17/h3,5,10,13,15H,4,6-9,11-12H2,1-2H3
InChIKeyIIKLWIMHMZKKDP-UHFFFAOYSA-N
MW267.44 g/mol
LogP1.86
Rot. Bonds5

About 2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 62558327) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID62558327
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)N1CCCN(C)CC1
InChIInChI=1S/C14H25N3S/c1-13(11-15-12-14-5-3-10-18-14)17-7-4-6-16(2)8-9-17/h3,5,10,13,15H,4,6-9,11-12H2,1-2H3
InChIKeyIIKLWIMHMZKKDP-UHFFFAOYSA-N
XLogP1.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55089239
2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 103503524
2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 79184426
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63167661
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63776987
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62418612
2-(4-methyl-1,4-diazepan-1-yl)-N-prop-2-ynylpropan-1-amine
CID 62558175
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83062252
2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 81422867
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-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 62558327) is 2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CNCc1cccs1)N1CCCN(C)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is IIKLWIMHMZKKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-13(11-15-12-14-5-3-10-18-14)17-7-4-6-16(2)8-9-17/h3,5,10,13,15H,4,6-9,11-12H2,1-2H3.
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62558327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).