N-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide

C13H26N2O2 — CID 106829127

IUPACN-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide
SMILESCOCC(N)CN(C)C(=O)C1(C)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-13(7-5-4-6-8-13)12(16)15(2)9-11(14)10-17-3/h11H,4-10,14H2,1-3H3
InChIKeyZOGPSKMPWPOFDU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds5

About N-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide

N-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide (PubChem CID 106829127) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide
PubChem CID106829127
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide
SMILESCOCC(N)CN(C)C(=O)C1(C)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-13(7-5-4-6-8-13)12(16)15(2)9-11(14)10-17-3/h11H,4-10,14H2,1-3H3
InChIKeyZOGPSKMPWPOFDU-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 105056166
N-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106828970
N-(2-amino-3-methoxypropyl)-N,2-dimethylpropanamide
CID 63754189
N-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide
CID 63753647
tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate
CID 63753489
N-(2-amino-3-methoxypropyl)-N-methyloxolane-2-carboxamide
CID 63753656
N-(2-amino-3-methoxypropyl)-N,2,2-trimethylbutanamide
CID 63754024
N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106828686
N-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide
CID 80670454
N-(2-amino-3-methoxypropyl)-N-methyloxane-4-carboxamide
CID 63754571
N-(1-amino-2-methylpropan-2-yl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106829154
1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 80587473

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide (CID 106829127) is N-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide is COCC(N)CN(C)C(=O)C1(C)CCCCC1.
What is the InChIKey of N-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide?
The InChIKey is ZOGPSKMPWPOFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(7-5-4-6-8-13)12(16)15(2)9-11(14)10-17-3/h11H,4-10,14H2,1-3H3.
What are the key properties of N-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide?
N-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 106829127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).