3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide

C17H35N3O — CID 65269336

IUPAC3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide
SMILESCN(CCCNC(=O)C(C)(C)C(C)(C)N)C1CCCCC1
InChIInChI=1S/C17H35N3O/c1-16(2,17(3,4)18)15(21)19-12-9-13-20(5)14-10-7-6-8-11-14/h14H,6-13,18H2,1-5H3,(H,19,21)
InChIKeyLXITZMSOWPJZGS-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.52
Rot. Bonds7

About 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide

3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide (PubChem CID 65269336) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide
PubChem CID65269336
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide
SMILESCN(CCCNC(=O)C(C)(C)C(C)(C)N)C1CCCCC1
InChIInChI=1S/C17H35N3O/c1-16(2,17(3,4)18)15(21)19-12-9-13-20(5)14-10-7-6-8-11-14/h14H,6-13,18H2,1-5H3,(H,19,21)
InChIKeyLXITZMSOWPJZGS-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.52
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-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide
CID 114328325
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbutanamide
CID 79812015
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
3-[3-[cyclohexyl(methyl)amino]propylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644040
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride
CID 120503009
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 107904686
6-amino-N-[3-[cyclohexyl(methyl)amino]propyl]hexanamide
CID 60981769
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide
CID 55126074
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
CID 110443807
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 66009397

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide (CID 65269336) is 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide is CN(CCCNC(=O)C(C)(C)C(C)(C)N)C1CCCCC1.
What is the InChIKey of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide?
The InChIKey is LXITZMSOWPJZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-16(2,17(3,4)18)15(21)19-12-9-13-20(5)14-10-7-6-8-11-14/h14H,6-13,18H2,1-5H3,(H,19,21).
What are the key properties of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide?
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide has a molecular weight of 297.49 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65269336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).