1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide

C13H24N2O2 — CID 119819545

IUPAC1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCC(C)C1OCCCC1CNC(=O)C1(N)CC1
InChIInChI=1S/C13H24N2O2/c1-9(2)11-10(4-3-7-17-11)8-15-12(16)13(14)5-6-13/h9-11H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyUVCYXTVIOQIYES-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.05
Rot. Bonds4

About 1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide

1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 119819545) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID119819545
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCC(C)C1OCCCC1CNC(=O)C1(N)CC1
InChIInChI=1S/C13H24N2O2/c1-9(2)11-10(4-3-7-17-11)8-15-12(16)13(14)5-6-13/h9-11H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyUVCYXTVIOQIYES-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120937132
1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119795864
(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
CID 119344063
3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride
CID 120502267
4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 120564004
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxan-3-yl)methyl]acetamide
CID 119819575
2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 119819588
N-[[(2S,3S)-2-propan-2-yloxan-3-yl]methyl]-1,4-thiazepane-4-carboxamide
CID 124890213
1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122005273
3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119819562
1-amino-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60867408
9-amino-N-[(2-propan-2-yloxan-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991857

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide (CID 119819545) is 1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide is CC(C)C1OCCCC1CNC(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is UVCYXTVIOQIYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)11-10(4-3-7-17-11)8-15-12(16)13(14)5-6-13/h9-11H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of 1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide?
1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119819545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).