2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide

C12H25N3O — CID 79122346

IUPAC2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
SMILESCCCNC1CCC(N(C)CC(N)=O)CC1
InChIInChI=1S/C12H25N3O/c1-3-8-14-10-4-6-11(7-5-10)15(2)9-12(13)16/h10-11,14H,3-9H2,1-2H3,(H2,13,16)
InChIKeySARUJQJLXHWGPK-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds6

About 2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide

2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide (PubChem CID 79122346) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
PubChem CID79122346
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
SMILESCCCNC1CCC(N(C)CC(N)=O)CC1
InChIInChI=1S/C12H25N3O/c1-3-8-14-10-4-6-11(7-5-10)15(2)9-12(13)16/h10-11,14H,3-9H2,1-2H3,(H2,13,16)
InChIKeySARUJQJLXHWGPK-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide
CID 114763113
N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
CID 79122493
N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 79122945
1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol
CID 79122269
4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 79123260
1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea
CID 79153266
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
2-[cyclohexyl(methyl)amino]acetamide
CID 22200523
4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
CID 79122187
4-N-(2-ethylbutyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 82925922
1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide
CID 79123252
3-[methyl-[4-(propylamino)cyclohexyl]amino]propane-1,2-diol
CID 82842719

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide?
The IUPAC name of 2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide (CID 79122346) is 2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide?
The canonical SMILES for 2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide is CCCNC1CCC(N(C)CC(N)=O)CC1.
What is the InChIKey of 2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide?
The InChIKey is SARUJQJLXHWGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-8-14-10-4-6-11(7-5-10)15(2)9-12(13)16/h10-11,14H,3-9H2,1-2H3,(H2,13,16).
What are the key properties of 2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide?
2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide is sourced from PubChem (CID 79122346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).