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

C14H26N2O2 — CID 114097955

IUPAC2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
SMILESNCC1CCCCC1C(=O)NCCOCC1CC1
InChIInChI=1S/C14H26N2O2/c15-9-12-3-1-2-4-13(12)14(17)16-7-8-18-10-11-5-6-11/h11-13H,1-10,15H2,(H,16,17)
InChIKeyIZZQIWMAANFXNN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.29
Rot. Bonds7

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

2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 114097955) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
PubChem CID114097955
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
SMILESNCC1CCCCC1C(=O)NCCOCC1CC1
InChIInChI=1S/C14H26N2O2/c15-9-12-3-1-2-4-13(12)14(17)16-7-8-18-10-11-5-6-11/h11-13H,1-10,15H2,(H,16,17)
InChIKeyIZZQIWMAANFXNN-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.29
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

2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid
CID 79457580
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 103795970
(2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide
CID 120790364
2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide
CID 115747505
2-(aminomethyl)-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 113327463
2-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66004226
3-amino-N-[2-(cyclopropylmethoxy)ethyl]-2,2-dimethylpropanamide
CID 103809924
2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107317629
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106047668
9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989389
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 79363022
2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide
CID 112674216

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide (CID 114097955) is 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide is NCC1CCCCC1C(=O)NCCOCC1CC1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide?
The InChIKey is IZZQIWMAANFXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-9-12-3-1-2-4-13(12)14(17)16-7-8-18-10-11-5-6-11/h11-13H,1-10,15H2,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide?
2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 114097955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).