(2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide

C15H28N2O2 — CID 125445019

IUPAC(2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide
SMILESCCN(CC)CC1(NC(=O)[C@]2(C)CCCCO2)CC1
InChIInChI=1S/C15H28N2O2/c1-4-17(5-2)12-15(9-10-15)16-13(18)14(3)8-6-7-11-19-14/h4-12H2,1-3H3,(H,16,18)/t14-/m0/s1
InChIKeyJYERCOUJRQPYES-AWEZNQCLSA-N
MW268.40 g/mol
LogP1.94
Rot. Bonds6

About (2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide

(2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide (PubChem CID 125445019) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide
PubChem CID125445019
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide
SMILESCCN(CC)CC1(NC(=O)[C@]2(C)CCCCO2)CC1
InChIInChI=1S/C15H28N2O2/c1-4-17(5-2)12-15(9-10-15)16-13(18)14(3)8-6-7-11-19-14/h4-12H2,1-3H3,(H,16,18)/t14-/m0/s1
InChIKeyJYERCOUJRQPYES-AWEZNQCLSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide
CID 131936232
ethane;2-methyloxane-2-carboxamide
CID 171543445
N-[1-(diethylaminomethyl)cyclopropyl]-2-(oxan-3-yl)acetamide;formic acid
CID 154906812
ethyl N-[[(2S)-2-methyloxolane-2-carbonyl]amino]carbamate
CID 99634055
N-(6-bromohexyl)-2-methyloxolane-2-carboxamide
CID 107847632
1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
CID 62272290
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyloxane-2-carboxamide
CID 125443988
1-(diethylaminomethyl)-N-methylcyclopropan-1-amine
CID 118350004
N-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide
CID 122556202
N-(1-hydroxy-4-methylpentan-3-yl)-2-methyloxolane-2-carboxamide
CID 103782192
2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide
CID 122562953
(2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide
CID 125443348

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide?
The IUPAC name of (2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide (CID 125445019) is (2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide is CCN(CC)CC1(NC(=O)[C@]2(C)CCCCO2)CC1.
What is the InChIKey of (2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide?
The InChIKey is JYERCOUJRQPYES-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-17(5-2)12-15(9-10-15)16-13(18)14(3)8-6-7-11-19-14/h4-12H2,1-3H3,(H,16,18)/t14-/m0/s1.
What are the key properties of (2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide?
(2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide is sourced from PubChem (CID 125445019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).