4-(aminomethyl)-N-(2-methoxypropyl)-2-propan-2-yloxan-4-amine

C13H28N2O2 — CID 102697372

IUPAC4-(aminomethyl)-N-(2-methoxypropyl)-2-propan-2-yloxan-4-amine
SMILESCOC(C)CNC1(CN)CCOC(C(C)C)C1
InChIInChI=1S/C13H28N2O2/c1-10(2)12-7-13(9-14,5-6-17-12)15-8-11(3)16-4/h10-12,15H,5-9,14H2,1-4H3
InChIKeyYWRMSVZCKXDOTO-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.14
Rot. Bonds6

About 4-(aminomethyl)-N-(2-methoxypropyl)-2-propan-2-yloxan-4-amine

4-(aminomethyl)-N-(2-methoxypropyl)-2-propan-2-yloxan-4-amine (PubChem CID 102697372) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxypropyl)-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxypropyl)-2-propan-2-yloxan-4-amine
PubChem CID102697372
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-(aminomethyl)-N-(2-methoxypropyl)-2-propan-2-yloxan-4-amine
SMILESCOC(C)CNC1(CN)CCOC(C(C)C)C1
InChIInChI=1S/C13H28N2O2/c1-10(2)12-7-13(9-14,5-6-17-12)15-8-11(3)16-4/h10-12,15H,5-9,14H2,1-4H3
InChIKeyYWRMSVZCKXDOTO-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
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
4-(aminomethyl)-2-propyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378217
4-(aminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378218
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine
CID 115406424
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine
CID 115406425
[(2R,6S)-2,6-dimethyl-4-morpholin-4-yloxan-4-yl]methanamine
CID 117738071
6-Decan-4-yl-4-ethoxypiperidin-3-amine
CID 129133406
4-(Cyclopropylmethoxy)-3-propylpiperidin-3-amine
CID 129134600
6-Decan-4-yl-4-methoxypiperidin-3-amine
CID 129134739
5-Hexyl-4-propan-2-yloxypiperidin-3-amine
CID 134321983
(2R,3R)-6-[1-(methylamino)ethyl]-2-propan-2-yloxan-3-amine
CID 137531022
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)-N-(2-methoxypropyl)-2-propan-2-yloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxypropyl)-2-propan-2-yloxan-4-amine (CID 102697372) is 4-(aminomethyl)-N-(2-methoxypropyl)-2-propan-2-yloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxypropyl)-2-propan-2-yloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxypropyl)-2-propan-2-yloxan-4-amine is COC(C)CNC1(CN)CCOC(C(C)C)C1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxypropyl)-2-propan-2-yloxan-4-amine?
The InChIKey is YWRMSVZCKXDOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(2)12-7-13(9-14,5-6-17-12)15-8-11(3)16-4/h10-12,15H,5-9,14H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxypropyl)-2-propan-2-yloxan-4-amine?
4-(aminomethyl)-N-(2-methoxypropyl)-2-propan-2-yloxan-4-amine has a molecular weight of 244.38 g/mol, XLogP of 1.14, 6 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-propan-2-yloxan-4-amine is sourced from PubChem (CID 102697372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).