N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide

C16H32N2O — CID 59205246

IUPACN-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCN(C(C)C)C1CCCCC1
InChIInChI=1S/C16H32N2O/c1-13(2)16(19)17-11-8-12-18(14(3)4)15-9-6-5-7-10-15/h13-15H,5-12H2,1-4H3,(H,17,19)
InChIKeyOYBAOLUSJPVRFB-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.19
Rot. Bonds7

About N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide

N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide (PubChem CID 59205246) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide
PubChem CID59205246
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCN(C(C)C)C1CCCCC1
InChIInChI=1S/C16H32N2O/c1-13(2)16(19)17-11-8-12-18(14(3)4)15-9-6-5-7-10-15/h13-15H,5-12H2,1-4H3,(H,17,19)
InChIKeyOYBAOLUSJPVRFB-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
N-[2-[acetyl(cyclopentyl)amino]ethyl]-2-methylpropanamide
CID 113052772
2-[cyclopentyl(propan-2-yl)amino]ethanol
CID 62020033
2-[cyclopentyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016618
2-[cyclobutyl(3-hydroxypropyl)amino]-N-pentylpropanamide
CID 102858511
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 107904686
2-[3-aminopropyl(cyclopentyl)amino]-N-propylpropanamide
CID 43137600
2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide
CID 43137645
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride
CID 120503009
N-(3-bromopropyl)-N-propan-2-ylcyclopentanamine
CID 82936411

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide?
The IUPAC name of N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide (CID 59205246) is N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide is CC(C)C(=O)NCCCN(C(C)C)C1CCCCC1.
What is the InChIKey of N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide?
The InChIKey is OYBAOLUSJPVRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)16(19)17-11-8-12-18(14(3)4)15-9-6-5-7-10-15/h13-15H,5-12H2,1-4H3,(H,17,19).
What are the key properties of N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide?
N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide has a molecular weight of 268.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide is sourced from PubChem (CID 59205246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).