1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine

C9H18N2O — CID 65457971

IUPAC1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine
SMILESNC1(CNCC2CCOC2)CC1
InChIInChI=1S/C9H18N2O/c10-9(2-3-9)7-11-5-8-1-4-12-6-8/h8,11H,1-7,10H2
InChIKeyJAKVUEYPIUSDPP-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.10
Rot. Bonds4

About 1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine

1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine (PubChem CID 65457971) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine
PubChem CID65457971
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine
SMILESNC1(CNCC2CCOC2)CC1
InChIInChI=1S/C9H18N2O/c10-9(2-3-9)7-11-5-8-1-4-12-6-8/h8,11H,1-7,10H2
InChIKeyJAKVUEYPIUSDPP-UHFFFAOYSA-N
XLogP0.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887835
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
CID 115438163
N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887846
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
CID 103969185
4-hydroxy-4-[(oxolan-3-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499198
2-(oxolan-3-ylmethylamino)acetamide
CID 16770928
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine
CID 61211546
N-(oxolan-3-ylmethyl)-1-piperidin-4-ylmethanamine
CID 62825418
[(3S)-oxolan-3-yl]methylthiourea
CID 155092618
3-[(oxolan-3-ylmethylamino)methyl]pentan-3-ol
CID 65105346
N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 30427580

Frequently Asked Questions

What is the IUPAC name of 1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine (CID 65457971) is 1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine is NC1(CNCC2CCOC2)CC1.
What is the InChIKey of 1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine?
The InChIKey is JAKVUEYPIUSDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-9(2-3-9)7-11-5-8-1-4-12-6-8/h8,11H,1-7,10H2.
What are the key properties of 1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine?
1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine has a molecular weight of 170.26 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine is sourced from PubChem (CID 65457971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).