1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide

C13H22N2O2 — CID 115452951

IUPAC1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)N(CC2CCOC2)C2CC2)CC1
InChIInChI=1S/C13H22N2O2/c14-9-13(4-5-13)12(16)15(11-1-2-11)7-10-3-6-17-8-10/h10-11H,1-9,14H2
InChIKeyOCCPFGJGLVNSCF-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.75
Rot. Bonds5

About 1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 115452951) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID115452951
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)N(CC2CCOC2)C2CC2)CC1
InChIInChI=1S/C13H22N2O2/c14-9-13(4-5-13)12(16)15(11-1-2-11)7-10-3-6-17-8-10/h10-11H,1-9,14H2
InChIKeyOCCPFGJGLVNSCF-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide
CID 104677867
1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 115441782
4-amino-N-cyclopropyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)butanamide
CID 114285592
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 63713295
1-cyclopropyl-3-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71940583
1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97028885
4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 54904600
4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide
CID 78977172
oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 115433872
6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid
CID 54876447
3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119715175
N-cyclopropyl-N-(oxolan-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119284851

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide (CID 115452951) is 1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide is NCC1(C(=O)N(CC2CCOC2)C2CC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is OCCPFGJGLVNSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-9-13(4-5-13)12(16)15(11-1-2-11)7-10-3-6-17-8-10/h10-11H,1-9,14H2.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115452951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).