3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(oxolan-3-yl)oxolan-3-amine

C14H28N2O2 — CID 82734683

IUPAC3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(oxolan-3-yl)oxolan-3-amine
SMILESCN(C1CCOC1)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C14H28N2O2/c1-12(2)9-14(10-15,13(3,4)18-12)16(5)11-6-7-17-8-11/h11H,6-10,15H2,1-5H3
InChIKeyXWWKWEVLUNHIMU-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.38
Rot. Bonds3

About 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(oxolan-3-yl)oxolan-3-amine

3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(oxolan-3-yl)oxolan-3-amine (PubChem CID 82734683) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(oxolan-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(oxolan-3-yl)oxolan-3-amine
PubChem CID82734683
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(oxolan-3-yl)oxolan-3-amine
SMILESCN(C1CCOC1)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C14H28N2O2/c1-12(2)9-14(10-15,13(3,4)18-12)16(5)11-6-7-17-8-11/h11H,6-10,15H2,1-5H3
InChIKeyXWWKWEVLUNHIMU-UHFFFAOYSA-N
XLogP1.38
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79928081
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79912262
N-[1-(aminomethyl)-3-ethylcyclopentyl]-N-methyloxolan-3-amine
CID 82734585
N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methyloxolan-3-amine
CID 106822250
4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine
CID 82735423
3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-[(2-methylcyclopropyl)methyl]oxolan-3-amine
CID 79927059
N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine
CID 82734241
4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine
CID 82734229
3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79928522
3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine
CID 112658428
3-(aminomethyl)-N-ethyl-2,2,5,5-tetramethyl-N-(2-methylpropyl)oxolan-3-amine
CID 79928078
N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine
CID 43610982

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(oxolan-3-yl)oxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(oxolan-3-yl)oxolan-3-amine (CID 82734683) is 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(oxolan-3-yl)oxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(oxolan-3-yl)oxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(oxolan-3-yl)oxolan-3-amine is CN(C1CCOC1)C1(CN)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(oxolan-3-yl)oxolan-3-amine?
The InChIKey is XWWKWEVLUNHIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)9-14(10-15,13(3,4)18-12)16(5)11-6-7-17-8-11/h11H,6-10,15H2,1-5H3.
What are the key properties of 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(oxolan-3-yl)oxolan-3-amine?
3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(oxolan-3-yl)oxolan-3-amine has a molecular weight of 256.39 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(oxolan-3-yl)oxolan-3-amine is sourced from PubChem (CID 82734683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).