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

C13H24N2O2 — CID 113422916

IUPACN-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide
SMILESCOC1CCC(NCCNC(=O)C2CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-17-12-6-4-11(5-7-12)14-8-9-15-13(16)10-2-3-10/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyUKASPJNBCPFUAL-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.06
Rot. Bonds6

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

N-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 113422916) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID113422916
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide
SMILESCOC1CCC(NCCNC(=O)C2CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-17-12-6-4-11(5-7-12)14-8-9-15-13(16)10-2-3-10/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyUKASPJNBCPFUAL-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.06
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

N-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 113218943
N-[2-[[(1S,3R)-3-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide
CID 97357833
methyl N-[2-(cyclopropylamino)ethyl]carbamate
CID 62663328
N-[2-[(3-ethylcyclopentyl)amino]ethyl]cyclopropanecarboxamide
CID 115651444
methyl 4-[2-(carbamoylamino)ethylamino]cyclohexane-1-carboxylate
CID 112753620
tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate
CID 103081858
N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 115572811
N-[2-[[(3R)-thiolan-3-yl]amino]ethyl]cyclopropanecarboxamide
CID 97358881
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide
CID 112529992
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide
CID 166816734
N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide
CID 146474949

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide (CID 113422916) is N-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide is COC1CCC(NCCNC(=O)C2CC2)CC1.
What is the InChIKey of N-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is UKASPJNBCPFUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-12-6-4-11(5-7-12)14-8-9-15-13(16)10-2-3-10/h10-12,14H,2-9H2,1H3,(H,15,16).
What are the key properties of N-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113422916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).