4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine

C12H26N2O2 — CID 102697130

IUPAC4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine
SMILESCCC1CC(CN)(NCC(C)OC)CCO1
InChIInChI=1S/C12H26N2O2/c1-4-11-7-12(9-13,5-6-16-11)14-8-10(2)15-3/h10-11,14H,4-9,13H2,1-3H3
InChIKeyXIHAYYCTZJICTB-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.90
Rot. Bonds6

About 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine

4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine (PubChem CID 102697130) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine
PubChem CID102697130
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine
SMILESCCC1CC(CN)(NCC(C)OC)CCO1
InChIInChI=1S/C12H26N2O2/c1-4-11-7-12(9-13,5-6-16-11)14-8-10(2)15-3/h10-11,14H,4-9,13H2,1-3H3
InChIKeyXIHAYYCTZJICTB-UHFFFAOYSA-N
XLogP0.90
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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)-2,6-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
(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
[(2R,6S)-2,6-dimethyl-4-morpholin-4-yloxan-4-yl]methanamine
CID 117738071
4-(Cyclopropylmethoxy)-3-propylpiperidin-3-amine
CID 129134600
5-Hexyl-4-propan-2-yloxypiperidin-3-amine
CID 134321983
4-[(Propan-2-ylamino)methyl]-2-[2-[(4-propoxyoxan-4-yl)methylamino]propyl]oxan-4-amine
CID 146535464

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine (CID 102697130) is 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine is CCC1CC(CN)(NCC(C)OC)CCO1.
What is the InChIKey of 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine?
The InChIKey is XIHAYYCTZJICTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-11-7-12(9-13,5-6-16-11)14-8-10(2)15-3/h10-11,14H,4-9,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine?
4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine has a molecular weight of 230.35 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine is sourced from PubChem (CID 102697130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).