2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide

C15H31N3O — CID 104678084

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide
SMILESCN(C)CCCCNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H31N3O/c1-18(2)11-7-6-10-17-14(19)12-15(13-16)8-4-3-5-9-15/h3-13,16H2,1-2H3,(H,17,19)
InChIKeyFLTBXCCCGHAUPR-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds8

About 2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide

2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide (PubChem CID 104678084) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide
PubChem CID104678084
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide
SMILESCN(C)CCCCNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H31N3O/c1-18(2)11-7-6-10-17-14(19)12-15(13-16)8-4-3-5-9-15/h3-13,16H2,1-2H3,(H,17,19)
InChIKeyFLTBXCCCGHAUPR-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 113440176
2-[1-(aminomethyl)cyclohexyl]-N-(3-methylsulfanylpropyl)acetamide
CID 59780090
2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
CID 81171928
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methanesulfonamido)propyl]acetamide
CID 104844350
ethyl 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoate
CID 104678297
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 104677954
2-[1-(aminomethyl)cyclohexyl]-N-[3-(2-methylpentan-2-ylsulfanyl)propyl]acetamide
CID 155427786
2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide
CID 114137021
2-[1-(aminomethyl)cyclohexyl]-N-(3-methylsulfanylpropyl)acetamide;tert-butyl N-[[1-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]cyclohexyl]methyl]carbamate
CID 158321725

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide (CID 104678084) is 2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide is CN(C)CCCCNC(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide?
The InChIKey is FLTBXCCCGHAUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-18(2)11-7-6-10-17-14(19)12-15(13-16)8-4-3-5-9-15/h3-13,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide is sourced from PubChem (CID 104678084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).