4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide

C13H24N2O2 — CID 103795970

IUPAC4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCCOCC2CC2)CC1
InChIInChI=1S/C13H24N2O2/c14-12-5-3-11(4-6-12)13(16)15-7-8-17-9-10-1-2-10/h10-12H,1-9,14H2,(H,15,16)
InChIKeyMHYDCIKGFCNLFN-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.05
Rot. Bonds6

About 4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide

4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 103795970) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
PubChem CID103795970
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCCOCC2CC2)CC1
InChIInChI=1S/C13H24N2O2/c14-12-5-3-11(4-6-12)13(16)15-7-8-17-9-10-1-2-10/h10-12H,1-9,14H2,(H,15,16)
InChIKeyMHYDCIKGFCNLFN-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 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 ≤ 51.05
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

4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide
CID 113264018
9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989389
4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310576
4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104761102
4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
CID 81433162
4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
CID 62806612
3-amino-N-[2-(2-methoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 66009424
1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide
CID 46419524
2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 114097955
4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106240401
(2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide
CID 120790364
4-[3-(oxan-4-ylmethoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673829

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide (CID 103795970) is 4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide is NC1CCC(C(=O)NCCOCC2CC2)CC1.
What is the InChIKey of 4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide?
The InChIKey is MHYDCIKGFCNLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-12-5-3-11(4-6-12)13(16)15-7-8-17-9-10-1-2-10/h10-12H,1-9,14H2,(H,15,16).
What are the key properties of 4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide?
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 103795970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).