1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea

C16H28N4OS — CID 146133848

IUPAC1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
SMILESCN(C)C(CNC(=O)NCC1(N)CCCCC1)c1cccs1
InChIInChI=1S/C16H28N4OS/c1-20(2)13(14-7-6-10-22-14)11-18-15(21)19-12-16(17)8-4-3-5-9-16/h6-7,10,13H,3-5,8-9,11-12,17H2,1-2H3,(H2,18,19,21)
InChIKeyYUDLBBVMEFTMTJ-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.31
Rot. Bonds6

About 1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea

1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea (PubChem CID 146133848) has the molecular formula C16H28N4OS and a molecular weight of 324.49 g/mol. Its IUPAC name is 1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
PubChem CID146133848
Molecular FormulaC16H28N4OS
Molecular Weight324.49 g/mol
Exact Mass324.20
IUPAC Name1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
SMILESCN(C)C(CNC(=O)NCC1(N)CCCCC1)c1cccs1
InChIInChI=1S/C16H28N4OS/c1-20(2)13(14-7-6-10-22-14)11-18-15(21)19-12-16(17)8-4-3-5-9-16/h6-7,10,13H,3-5,8-9,11-12,17H2,1-2H3,(H2,18,19,21)
InChIKeyYUDLBBVMEFTMTJ-UHFFFAOYSA-N
XLogP2.31
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide
CID 81172793
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134291
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 30834300
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 81172882
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 36870224
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 112794324
2-cyclohexyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 46522897
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(pyridin-3-ylmethyl)urea
CID 94017013
2-(1-aminocyclohexyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 64678950
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640

Frequently Asked Questions

What is the IUPAC name of 1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The IUPAC name of 1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea (CID 146133848) is 1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea is CN(C)C(CNC(=O)NCC1(N)CCCCC1)c1cccs1.
What is the InChIKey of 1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The InChIKey is YUDLBBVMEFTMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS/c1-20(2)13(14-7-6-10-22-14)11-18-15(21)19-12-16(17)8-4-3-5-9-16/h6-7,10,13H,3-5,8-9,11-12,17H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea has a molecular weight of 324.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea is sourced from PubChem (CID 146133848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).