N-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide

C15H28N2O — CID 113218943

IUPACN-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
SMILESCCCC1CCC(NCCNC(=O)C2CC2)CC1
InChIInChI=1S/C15H28N2O/c1-2-3-12-4-8-14(9-5-12)16-10-11-17-15(18)13-6-7-13/h12-14,16H,2-11H2,1H3,(H,17,18)
InChIKeyZWRLXHUXLNHKRV-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.46
Rot. Bonds7

About N-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 113218943) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID113218943
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
SMILESCCCC1CCC(NCCNC(=O)C2CC2)CC1
InChIInChI=1S/C15H28N2O/c1-2-3-12-4-8-14(9-5-12)16-10-11-17-15(18)13-6-7-13/h12-14,16H,2-11H2,1H3,(H,17,18)
InChIKeyZWRLXHUXLNHKRV-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.46
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

2-[(4-propylcyclohexyl)amino]ethylurea
CID 83111793
N-[2-[(3-ethylcyclopentyl)amino]ethyl]cyclopropanecarboxamide
CID 115651444
N-[2-[[(1S,3R)-3-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide
CID 97357833
N-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 113422916
N-butyl-4-propylcyclohexan-1-amine
CID 43080052
4-N-cyclopropyl-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144255
3-[(4-propylcycloheptyl)amino]propanamide
CID 65086939
N-propyl-3-[(4-propylcycloheptyl)amino]propanamide
CID 65091128
N-but-3-ynyl-4-propylcyclohexan-1-amine
CID 63656858
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 115563516
tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
CID 113243263
4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
CID 107848338

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide (CID 113218943) is N-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide is CCCC1CCC(NCCNC(=O)C2CC2)CC1.
What is the InChIKey of N-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is ZWRLXHUXLNHKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-3-12-4-8-14(9-5-12)16-10-11-17-15(18)13-6-7-13/h12-14,16H,2-11H2,1H3,(H,17,18).
What are the key properties of N-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113218943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).