N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide

C15H30N2O — CID 112688557

IUPACN-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide
SMILESCC1CCC(CNCCC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-12-5-7-13(8-6-12)11-16-10-9-14(18)17-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18)
InChIKeyDGZXXESKOGJMNG-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.71
Rot. Bonds5

About N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide

N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide (PubChem CID 112688557) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide
PubChem CID112688557
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide
SMILESCC1CCC(CNCCC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-12-5-7-13(8-6-12)11-16-10-9-14(18)17-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18)
InChIKeyDGZXXESKOGJMNG-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide
CID 114223914
N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide
CID 109016044
3-(cyclopropylmethylamino)-N-ethylpropanamide
CID 62324185
tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate
CID 63243388
N-cyclopropyl-3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412683
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
N-tert-butyl-3-(2-hydroxyethylamino)propanamide
CID 112688508
N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide
CID 113409928
tert-butyl 3-[2-(4-methylcyclohexyl)ethylamino]propanoate
CID 103252764
2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine
CID 63001387
3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412716
N-tert-butyl-3-(cyclooctylamino)propanamide
CID 112688516

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide (CID 112688557) is N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide is CC1CCC(CNCCC(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide?
The InChIKey is DGZXXESKOGJMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12-5-7-13(8-6-12)11-16-10-9-14(18)17-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18).
What are the key properties of N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide?
N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide has a molecular weight of 254.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide is sourced from PubChem (CID 112688557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).