3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine

C15H30N2O — CID 79927059

IUPAC3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine
SMILESCC1CC1CN(C)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C15H30N2O/c1-11-7-12(11)8-17(6)15(10-16)9-13(2,3)18-14(15,4)5/h11-12H,7-10,16H2,1-6H3
InChIKeyVHJFPVBKBGWWNK-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.25
Rot. Bonds4

About 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine

3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine (PubChem CID 79927059) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine
PubChem CID79927059
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine
SMILESCC1CC1CN(C)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C15H30N2O/c1-11-7-12(11)8-17(6)15(10-16)9-13(2,3)18-14(15,4)5/h11-12H,7-10,16H2,1-6H3
InChIKeyVHJFPVBKBGWWNK-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine (CID 79927059) is 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine is CC1CC1CN(C)C1(CN)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine?
The InChIKey is VHJFPVBKBGWWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11-7-12(11)8-17(6)15(10-16)9-13(2,3)18-14(15,4)5/h11-12H,7-10,16H2,1-6H3.
What are the key properties of 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine?
3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine is sourced from PubChem (CID 79927059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).