1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide

C11H20N2O2 — CID 80588032

IUPAC1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCC2CCCOC2)CC1
InChIInChI=1S/C11H20N2O2/c12-8-11(3-4-11)10(14)13-6-9-2-1-5-15-7-9/h9H,1-8,12H2,(H,13,14)
InChIKeyDRZJNBMMBLKIGH-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.27
Rot. Bonds4

About 1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 80588032) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID80588032
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCC2CCCOC2)CC1
InChIInChI=1S/C11H20N2O2/c12-8-11(3-4-11)10(14)13-6-9-2-1-5-15-7-9/h9H,1-8,12H2,(H,13,14)
InChIKeyDRZJNBMMBLKIGH-UHFFFAOYSA-N
XLogP0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(cyclobutylmethyl)cyclobutane-1-carboxamide
CID 80587767
1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 76927301
2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735
4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
CID 63363409
1-amino-3-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551479
1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448
4-(aminomethyl)-N-(thian-4-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120928615
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide
CID 120940265
1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide
CID 106135703
1-(aminomethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 80588355
3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide
CID 76927279

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide (CID 80588032) is 1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide is NCC1(C(=O)NCC2CCCOC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is DRZJNBMMBLKIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-8-11(3-4-11)10(14)13-6-9-2-1-5-15-7-9/h9H,1-8,12H2,(H,13,14).
What are the key properties of 1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80588032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).