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

C13H28N2O2 — CID 102697174

IUPAC4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)-2-methyloxan-4-amine
SMILESCCC1(C)CC(CN)(NCC(C)OC)CCO1
InChIInChI=1S/C13H28N2O2/c1-5-12(3)9-13(10-14,6-7-17-12)15-8-11(2)16-4/h11,15H,5-10,14H2,1-4H3
InChIKeyKOUIVQIAWMASPL-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.29
Rot. Bonds6

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

4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)-2-methyloxan-4-amine (PubChem CID 102697174) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)-2-methyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)-2-methyloxan-4-amine
PubChem CID102697174
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)-2-methyloxan-4-amine
SMILESCCC1(C)CC(CN)(NCC(C)OC)CCO1
InChIInChI=1S/C13H28N2O2/c1-5-12(3)9-13(10-14,6-7-17-12)15-8-11(2)16-4/h11,15H,5-10,14H2,1-4H3
InChIKeyKOUIVQIAWMASPL-UHFFFAOYSA-N
XLogP1.29
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine
CID 39834526
2,7-Dimethyl-2-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane
CID 13051459
4-(aminomethyl)-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65377808
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-ethyl-2-methyloxan-4-amine
CID 115406379
10-Ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;dihydrochloride
CID 126478005
1,4-Diaza-9-oxaspiro[5.5]undecane, 8-ethyl-8-methyl-
CID 598001
[(2R,6S)-2,6-dimethyl-4-morpholin-4-yloxan-4-yl]methanamine
CID 117738071
6-Oxa-2-azaspiro[4.5]decan-4-amine
CID 146364732
4-[(Propan-2-ylamino)methyl]-2-[2-[(4-propoxyoxan-4-yl)methylamino]propyl]oxan-4-amine
CID 146535464
(6R,10R)-10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
CID 928241
(6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane
CID 1403254
(6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
CID 1403255

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)-2-methyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)-2-methyloxan-4-amine (CID 102697174) is 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)-2-methyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)-2-methyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)-2-methyloxan-4-amine is CCC1(C)CC(CN)(NCC(C)OC)CCO1.
What is the InChIKey of 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)-2-methyloxan-4-amine?
The InChIKey is KOUIVQIAWMASPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-12(3)9-13(10-14,6-7-17-12)15-8-11(2)16-4/h11,15H,5-10,14H2,1-4H3.
What are the key properties of 4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)-2-methyloxan-4-amine?
4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)-2-methyloxan-4-amine has a molecular weight of 244.38 g/mol, XLogP of 1.29, 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)-2-methyloxan-4-amine is sourced from PubChem (CID 102697174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).