N-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine

C10H20N2O — CID 115440028

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine
SMILESNCC1(CNC2CC2)CCOCC1
InChIInChI=1S/C10H20N2O/c11-7-10(3-5-13-6-4-10)8-12-9-1-2-9/h9,12H,1-8,11H2
InChIKeyIUDAJVHFGNNFHK-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.49
Rot. Bonds4

About N-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine

N-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine (PubChem CID 115440028) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine
PubChem CID115440028
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine
SMILESNCC1(CNC2CC2)CCOCC1
InChIInChI=1S/C10H20N2O/c11-7-10(3-5-13-6-4-10)8-12-9-1-2-9/h9,12H,1-8,11H2
InChIKeyIUDAJVHFGNNFHK-UHFFFAOYSA-N
XLogP0.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine (CID 115440028) is N-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine is NCC1(CNC2CC2)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is IUDAJVHFGNNFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c11-7-10(3-5-13-6-4-10)8-12-9-1-2-9/h9,12H,1-8,11H2.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 184.28 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 115440028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).