4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine

C12H26N2O2 — CID 102697128

IUPAC4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine
SMILESCOC(C)CNC1(CN)CCOC(C)(C)C1
InChIInChI=1S/C12H26N2O2/c1-10(15-4)7-14-12(9-13)5-6-16-11(2,3)8-12/h10,14H,5-9,13H2,1-4H3
InChIKeyMCYZOKFMTQXYBR-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.90
Rot. Bonds5

About 4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine

4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine (PubChem CID 102697128) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine
PubChem CID102697128
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine
SMILESCOC(C)CNC1(CN)CCOC(C)(C)C1
InChIInChI=1S/C12H26N2O2/c1-10(15-4)7-14-12(9-13)5-6-16-11(2,3)8-12/h10,14H,5-9,13H2,1-4H3
InChIKeyMCYZOKFMTQXYBR-UHFFFAOYSA-N
XLogP0.90
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378225
4-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethyloxan-4-amine
CID 115406226
3-(aminomethyl)-N-ethyloxan-3-amine
CID 64173443
[(2R,6S)-2,6-dimethyl-4-morpholin-4-yloxan-4-yl]methanamine
CID 117738071
2-Methyl-4-morpholin-2-ylbutan-2-amine
CID 146667559
N,4-dimethyl-2-[[methyl-(4-methyloxan-4-yl)amino]methyl]oxan-4-amine
CID 149048792
3-(6-methyl-1,4-dioxan-2-yl)-3-Piperidinamine
CID 156070009
N'-[[(5R)-5-amino-3-methyloxan-2-yl]methyl]pentane-1,5-diamine
CID 164102743
6,6-dimethyl-N-propan-2-yloxan-3-amine
CID 168239447
N-hexyl-6,6-dimethyloxan-3-amine
CID 169875323
2-[(6S)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine
CID 908513
2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine
CID 908514

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine (CID 102697128) is 4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine is COC(C)CNC1(CN)CCOC(C)(C)C1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine?
The InChIKey is MCYZOKFMTQXYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(15-4)7-14-12(9-13)5-6-16-11(2,3)8-12/h10,14H,5-9,13H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine?
4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine has a molecular weight of 230.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 102697128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).