4-(aminomethyl)-N-(2-methoxypropyl)-2-methyloxan-4-amine

C11H24N2O2 — CID 102697131

IUPAC4-(aminomethyl)-N-(2-methoxypropyl)-2-methyloxan-4-amine
SMILESCOC(C)CNC1(CN)CCOC(C)C1
InChIInChI=1S/C11H24N2O2/c1-9-6-11(8-12,4-5-15-9)13-7-10(2)14-3/h9-10,13H,4-8,12H2,1-3H3
InChIKeyKHQPFJRFZAULAU-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.51
Rot. Bonds5

About 4-(aminomethyl)-N-(2-methoxypropyl)-2-methyloxan-4-amine

4-(aminomethyl)-N-(2-methoxypropyl)-2-methyloxan-4-amine (PubChem CID 102697131) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxypropyl)-2-methyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxypropyl)-2-methyloxan-4-amine
PubChem CID102697131
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-(aminomethyl)-N-(2-methoxypropyl)-2-methyloxan-4-amine
SMILESCOC(C)CNC1(CN)CCOC(C)C1
InChIInChI=1S/C11H24N2O2/c1-9-6-11(8-12,4-5-15-9)13-7-10(2)14-3/h9-10,13H,4-8,12H2,1-3H3
InChIKeyKHQPFJRFZAULAU-UHFFFAOYSA-N
XLogP0.51
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-methyloxan-4-amine
CID 115406229
(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
4-cyclopropyl-3-N-methyloxane-3,4-diamine
CID 67359423
(3S)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine
CID 68264614
4-N-(1-methylcyclohexyl)oxane-3,4-diamine
CID 71741912
4-N-(1-methylcyclopentyl)oxane-3,4-diamine
CID 71741914
(3S)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine
CID 90290995

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxypropyl)-2-methyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxypropyl)-2-methyloxan-4-amine (CID 102697131) is 4-(aminomethyl)-N-(2-methoxypropyl)-2-methyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxypropyl)-2-methyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxypropyl)-2-methyloxan-4-amine is COC(C)CNC1(CN)CCOC(C)C1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxypropyl)-2-methyloxan-4-amine?
The InChIKey is KHQPFJRFZAULAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9-6-11(8-12,4-5-15-9)13-7-10(2)14-3/h9-10,13H,4-8,12H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxypropyl)-2-methyloxan-4-amine?
4-(aminomethyl)-N-(2-methoxypropyl)-2-methyloxan-4-amine has a molecular weight of 216.32 g/mol, XLogP of 0.51, 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-methyloxan-4-amine is sourced from PubChem (CID 102697131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).