4-(aminomethyl)-N-(2-methoxypropyl)-2,6-dimethyloxan-4-amine

C12H26N2O2 — CID 102697145

IUPAC4-(aminomethyl)-N-(2-methoxypropyl)-2,6-dimethyloxan-4-amine
SMILESCOC(C)CNC1(CN)CC(C)OC(C)C1
InChIInChI=1S/C12H26N2O2/c1-9-5-12(8-13,6-10(2)16-9)14-7-11(3)15-4/h9-11,14H,5-8,13H2,1-4H3
InChIKeyHMSXGFQZQCBCNC-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.90
Rot. Bonds5

About 4-(aminomethyl)-N-(2-methoxypropyl)-2,6-dimethyloxan-4-amine

4-(aminomethyl)-N-(2-methoxypropyl)-2,6-dimethyloxan-4-amine (PubChem CID 102697145) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxypropyl)-2,6-dimethyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxypropyl)-2,6-dimethyloxan-4-amine
PubChem CID102697145
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-(aminomethyl)-N-(2-methoxypropyl)-2,6-dimethyloxan-4-amine
SMILESCOC(C)CNC1(CN)CC(C)OC(C)C1
InChIInChI=1S/C12H26N2O2/c1-9-5-12(8-13,6-10(2)16-9)14-7-11(3)15-4/h9-11,14H,5-8,13H2,1-4H3
InChIKeyHMSXGFQZQCBCNC-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

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Related Compounds

4-(aminomethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65376564
4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378224
4-(aminomethyl)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 81852427
4-(aminomethyl)-N-(2,2-difluoroethyl)-2,6-dimethyloxan-4-amine
CID 81852430
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-ethyloxan-4-amine
CID 115406218
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine
CID 115406229
2,3-Diethyl-3-propylmorpholine
CID 57248978
(3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine
CID 58381294
(3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine
CID 58381295
3-(aminomethyl)-N-ethyloxan-3-amine
CID 64173443
(3S)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine
CID 68264614
4-N-(1-methylcyclohexyl)oxane-3,4-diamine
CID 71741912

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxypropyl)-2,6-dimethyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxypropyl)-2,6-dimethyloxan-4-amine (CID 102697145) is 4-(aminomethyl)-N-(2-methoxypropyl)-2,6-dimethyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxypropyl)-2,6-dimethyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxypropyl)-2,6-dimethyloxan-4-amine is COC(C)CNC1(CN)CC(C)OC(C)C1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxypropyl)-2,6-dimethyloxan-4-amine?
The InChIKey is HMSXGFQZQCBCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9-5-12(8-13,6-10(2)16-9)14-7-11(3)15-4/h9-11,14H,5-8,13H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxypropyl)-2,6-dimethyloxan-4-amine?
4-(aminomethyl)-N-(2-methoxypropyl)-2,6-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)-2,6-dimethyloxan-4-amine is sourced from PubChem (CID 102697145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).