N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide

C17H32N2O — CID 115647673

IUPACN-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide
SMILESCC(C)(C)C1CCC(CNCCNC(=O)C2CC2)CC1
InChIInChI=1S/C17H32N2O/c1-17(2,3)15-8-4-13(5-9-15)12-18-10-11-19-16(20)14-6-7-14/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeyYHJDMPRMUQFWGQ-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.95
Rot. Bonds6

About N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide

N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115647673) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide
PubChem CID115647673
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide
SMILESCC(C)(C)C1CCC(CNCCNC(=O)C2CC2)CC1
InChIInChI=1S/C17H32N2O/c1-17(2,3)15-8-4-13(5-9-15)12-18-10-11-19-16(20)14-6-7-14/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeyYHJDMPRMUQFWGQ-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.95
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-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
CID 106121672
N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
4-tert-butyl-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 62400506
4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 83030657
methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate
CID 103958175
4-[(2-acetamidoethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532227
6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
CID 107849266
N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115572796
4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide
CID 115744551
4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 176781646
2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide
CID 102674917
3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 62674977

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide (CID 115647673) is N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide is CC(C)(C)C1CCC(CNCCNC(=O)C2CC2)CC1.
What is the InChIKey of N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is YHJDMPRMUQFWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-17(2,3)15-8-4-13(5-9-15)12-18-10-11-19-16(20)14-6-7-14/h13-15,18H,4-12H2,1-3H3,(H,19,20).
What are the key properties of N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 280.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115647673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).