3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine

C14H28N2O — CID 79928081

IUPAC3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCN(CC1CC1)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C14H28N2O/c1-12(2)9-14(10-15,13(3,4)17-12)16(5)8-11-6-7-11/h11H,6-10,15H2,1-5H3
InChIKeyZGWZJXRETCMSBP-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds4

About 3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine

3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine (PubChem CID 79928081) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
PubChem CID79928081
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCN(CC1CC1)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C14H28N2O/c1-12(2)9-14(10-15,13(3,4)17-12)16(5)8-11-6-7-11/h11H,6-10,15H2,1-5H3
InChIKeyZGWZJXRETCMSBP-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine (CID 79928081) is 3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine is CN(CC1CC1)C1(CN)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The InChIKey is ZGWZJXRETCMSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)9-14(10-15,13(3,4)17-12)16(5)8-11-6-7-11/h11H,6-10,15H2,1-5H3.
What are the key properties of 3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine is sourced from PubChem (CID 79928081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).